data_1ivz_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 1ivz _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.15 152.4 48.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 11.6 m170 -121.52 129.82 53.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' CYS . 37.2 m-85 -115.37 133.93 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.94 110.62 14.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 tp -96.27 127.38 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.65 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -143.4 139.59 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 111.474 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -178.11 113.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.558 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -69.45 137.29 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.362 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 mt -106.11 103.37 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 p -55.53 -25.26 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.76 51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.0 0.429 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.94 95.68 0.49 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.13 143.71 60.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.447 2.098 . . . . 0.0 112.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -85.99 87.83 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -93.75 177.27 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.7 -32.76 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.27 -45.12 94.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.52 -17.27 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.09 -27.47 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -111.56 120.43 42.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.6 Cg_exo -62.05 -12.86 28.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.493 2.128 . . . . 0.0 112.789 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -93.01 35.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.787 0.327 . . . . 0.0 111.267 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -125.55 170.15 11.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.843 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -82.27 -46.84 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -27.11 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 25.3 t80 -79.69 -59.17 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -57.96 -42.66 85.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -59.44 -60.44 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.3 m -59.87 -35.96 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.06 -44.02 95.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -82.92 -31.13 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -59.94 -50.52 73.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.36 -46.03 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.58 -31.87 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -75.54 -38.24 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.773 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.03 -35.71 76.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.4 -32.16 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.39 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.86 -20.23 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 103' ' ' PHE . 8.9 tt -76.65 -35.44 57.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 23.6 m-85 -66.43 -53.35 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.995 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -55.62 -24.07 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -93.69 -27.66 16.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.9 p -59.02 170.55 0.84 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 t -69.96 -29.7 66.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.2 pt -93.56 46.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -87.66 53.73 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.72 -46.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.787 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -92.8 -31.0 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 10.5 t80 -73.0 119.41 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.74 -73.82 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -160.47 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.15 159.26 23.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -128.1 101.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.02 97.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.55 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.13 -165.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -121.63 146.0 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mmm-85 -116.79 151.81 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.335 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -136.88 -175.34 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.8 m -158.13 122.15 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.12 114.33 3.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.354 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 t -78.95 112.61 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.314 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.08 85.32 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.48 178.27 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.02 104.78 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.871 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' PHE . 21.3 m -66.71 75.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 14.9 m-80 -68.82 149.22 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CE1' HD13 ' A' ' 99' ' ' ILE . 7.3 m-85 -129.4 178.55 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.82 166.06 14.71 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.15 -27.87 73.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.506 2.137 . . . . 0.0 112.214 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.33 -31.08 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.51 113.67 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.36 -41.61 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -100.04 80.98 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 t -133.51 122.19 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.024 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.48 168.21 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.1 mtm-85 -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.65 -25.79 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.213 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.04 -62.96 1.31 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' CE1' ' A' ' 87' ' ' PHE . 9.8 mt -65.9 -24.32 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.423 ' CE2' HD12 ' A' ' 104' ' ' LEU . 64.6 t80 -70.79 -42.7 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.15 -36.41 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.065 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.53 -29.63 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.413 ' CE1' HD12 ' A' ' 51' ' ' LEU . 81.4 t80 -83.94 -30.01 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 100' ' ' TYR . 30.5 mt -74.87 -32.34 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -39.07 90.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.158 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.5 tpp -81.92 -26.81 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.4 p -94.59 20.74 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.29 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.8 m170 51.3 67.73 0.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 61.11 31.19 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.85 67.56 2.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.435 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -137.42 -46.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.682 0.277 . . . . 0.0 111.027 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -131.59 103.35 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.173 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -87.75 88.09 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 35.5 mt 61.52 -80.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.084 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 13.3 t30 -134.1 33.54 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 29.1 m-85 -148.53 98.08 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.7 p -66.02 118.51 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.89 159.55 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.014 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.79 172.78 10.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.205 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -109.66 -50.23 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -58.84 -35.1 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 100.0 p -64.89 -35.01 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.813 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 21.3 t -60.21 147.43 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -173.96 136.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -122.26 136.63 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.8 -172.2 3.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.88 0.371 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.03 155.71 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.409 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 64.9 m170 -124.51 147.37 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 94' ' ' VAL . 38.5 m-85 -137.7 126.74 24.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.53 114.23 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.339 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.4 tp -96.26 129.29 43.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -148.18 144.27 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.037 0.446 . . . . 0.0 111.359 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.7 p90 -176.61 113.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.464 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -67.89 131.17 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mt -105.04 133.19 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 50.8 p -97.74 30.05 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -123.27 -42.99 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.31 112.38 25.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.46 112.91 3.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -69.2 130.23 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 m -143.38 -173.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.48 -50.05 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -72.61 -19.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.323 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.74 30.22 2.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.03 106.33 1.02 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.76 64.22 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.479 2.119 . . . . 0.0 112.291 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -165.37 31.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 p -134.88 176.29 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 m -83.02 -34.0 26.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -32.74 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -63.61 -59.49 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.96 -28.93 67.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -57.25 -65.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.6 m -67.05 -30.64 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.033 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -58.25 -33.5 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -31.74 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -52.21 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.42 HD12 ' CZ ' ' A' ' 69' ' ' PHE . 44.2 mt -62.97 -45.08 99.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.022 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.31 -29.85 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -75.73 -44.72 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.05 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 55.0 mt -71.13 -33.65 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -63.41 -59.73 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.023 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -56.31 -30.21 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.96 -45.05 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 10.1 m-85 -61.45 -29.9 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -27.22 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -96.79 25.71 5.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -122.92 170.67 9.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -59.66 -32.38 70.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.5 pt -94.38 46.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -94.52 43.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -136.2 -46.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -91.21 -32.23 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 1.8 t80 -60.62 133.93 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.74 -70.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -161.87 -171.49 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 25.9 p -123.17 174.83 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -144.23 100.29 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.68 105.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.43 -58.3 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.99 -177.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.42 ' CZ ' HD12 ' A' ' 44' ' ' ILE . 63.9 m-85 -115.32 131.41 56.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -78.86 157.43 28.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.753 0.311 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 8.7 m170 -80.18 -179.08 6.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.775 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.1 m -152.47 113.06 4.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.06 117.43 9.13 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.68 136.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -128.14 74.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.88 176.13 5.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.98 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -133.51 106.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.43 78.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.409 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 20.3 m-80 -75.36 139.36 42.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -120.72 174.06 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.49 165.41 16.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.77 -27.78 68.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.569 2.18 . . . . 0.0 112.282 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.89 -28.25 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.2 156.42 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.185 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.12 128.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.58 71.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 27.7 t -124.15 103.16 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.49 151.52 45.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -31.25 72.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -66.2 -29.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -57.5 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.4 mt -61.32 -27.87 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.427 ' CD2' HD11 ' A' ' 104' ' ' LEU . 71.8 t80 -72.0 -49.42 37.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.91 -53.04 62.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.09 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.45 -29.41 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -72.67 -46.09 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.427 HD11 ' CD2' ' A' ' 100' ' ' TYR . 3.0 mt -61.27 -45.03 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -54.65 44.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.1 ttp -64.57 -27.9 69.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.321 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.4 p -94.63 20.0 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.344 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 52.32 70.2 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.53 34.16 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.46 61.21 7.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.586 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.3 p -127.38 -44.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.091 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -139.18 111.05 7.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 115' ' ' ASN . 2.1 tm? -95.19 96.73 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 53.3 mt 61.84 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 113' ' ' LEU . 13.6 t30 -141.9 38.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -148.03 93.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -60.7 117.23 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.19 160.46 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.05 160.36 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -98.68 -33.09 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.206 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 t -88.67 -31.21 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.5 t -59.27 139.27 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 18.8 t80 -174.01 152.28 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.446 ' N ' ' CD1' ' A' ' 124' ' ' PHE . 9.7 p -145.24 126.57 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.53 177.53 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.794 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.793 0.33 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -144.74 155.24 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -119.61 144.96 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -130.08 102.69 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.89 112.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.381 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 tp -97.45 129.08 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.038 0.447 . . . . 0.0 111.305 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -177.03 116.86 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.665 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -76.59 139.44 40.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.283 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.7 mt -105.13 101.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.416 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 6.1 p -58.98 -28.25 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -73.13 -37.16 66.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.92 109.56 28.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.29 174.19 13.23 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.425 2.083 . . . . 0.0 112.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 2.5 t80 -123.65 100.59 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -100.84 179.8 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -30.52 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -59.05 -44.12 91.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.0 -17.96 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.396 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.43 -19.67 38.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.417 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -124.04 110.38 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.999 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.3 Cg_exo -54.16 -24.6 34.13 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.478 2.119 . . . . 0.0 112.348 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -56.09 -30.74 62.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.0 p -76.89 165.32 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.5 m -82.98 -31.37 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -30.03 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.421 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 64.6 t80 -75.26 -48.56 22.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -68.8 -41.19 79.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.83 -60.54 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -60.66 -46.25 91.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -57.67 -37.29 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -82.2 -29.64 31.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -53.57 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.002 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 44' ' ' ILE . 45.2 mt -61.32 -43.74 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -60.64 -30.39 69.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.15 -45.28 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.1 -40.23 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 30.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.78 -45.61 93.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -52.56 57.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -49.74 -34.56 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 64' ' ' CYS . 21.4 m-85 -62.86 -61.71 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -26.66 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.01 -29.7 39.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -60.78 165.99 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 t -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.5 pt -93.62 45.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -86.18 55.5 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -153.13 -47.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -86.09 -30.52 22.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.9 t80 -61.49 119.76 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -84.48 -63.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.09 -179.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -118.07 164.55 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.4 108.04 6.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 p -75.91 98.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.1 mt -58.83 -57.72 11.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.17 177.2 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -106.9 147.01 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -98.22 130.92 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.416 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.699 0.285 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 5.5 m170 -122.55 -175.74 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.774 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.5 m -163.99 117.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 140.34 37.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.302 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.7 t -112.25 87.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.395 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.66 85.16 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.452 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.73 -176.47 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -140.63 101.46 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.9 m -67.87 75.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.406 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -69.83 155.59 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.168 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CE1' HD12 ' A' ' 99' ' ' ILE . 12.0 m-85 -139.72 153.26 47.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.65 167.0 40.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.11 -26.9 36.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.74 -29.65 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.46 166.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -170.33 126.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.52 44.84 6.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -85.2 89.96 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.8 148.69 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -59.29 -32.62 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.7 t -59.78 -27.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.21 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -62.05 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 87' ' ' PHE . 8.4 mt -67.93 -24.95 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.428 ' CD2' HD11 ' A' ' 104' ' ' LEU . 46.6 t80 -74.73 -42.7 57.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.29 -53.78 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.79 -29.97 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.428 HD11 ' CD2' ' A' ' 100' ' ' TYR . 11.8 mt -60.69 -52.64 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.33 74.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.301 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.3 tpp -72.1 -28.91 63.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.2 p -92.4 14.76 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.45 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.6 m80 56.08 79.28 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.239 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 m120 57.9 28.83 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.324 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.85 40.96 90.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.641 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 p -120.02 -33.03 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.613 0.244 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.28 115.49 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -99.54 96.56 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.619 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.8 mt 62.13 -80.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.02 29.96 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -142.32 107.7 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p -71.2 113.79 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -124.91 159.31 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.61 157.41 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.037 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -51.64 4.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.789 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.6 t -67.18 -31.18 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.6 t -63.72 123.23 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.91 127.92 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.3 109.72 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -115.11 156.29 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.84 139.21 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -126.02 132.1 52.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' A' ' 99' ' ' ILE . 51.1 m-85 -125.03 113.15 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.799 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.61 115.62 2.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -100.67 120.89 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.715 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -136.36 139.71 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.313 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -178.23 115.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -72.88 137.3 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 mt -102.5 101.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.4 p -55.37 -27.86 50.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -92.95 49.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.78 87.89 1.53 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.46 151.02 25.06 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.615 2.21 . . . . 0.0 112.26 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 35.4 t80 -108.47 114.66 28.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -126.01 176.26 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.71 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.12 -48.26 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.09 -14.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.368 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.03 -23.43 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -110.81 108.18 57.87 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.432 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 15.3 Cg_exo -67.75 61.91 0.88 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.668 2.245 . . . . 0.0 112.216 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 t -143.89 -41.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.3 p -65.91 178.03 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -31.04 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -60.01 -37.37 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.8 t80 -72.82 -38.67 67.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.43 -30.35 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -55.91 8.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 m -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -57.79 -36.47 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -37.03 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -53.66 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.32 -43.98 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -32.06 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.767 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.56 -40.63 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -33.17 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 46.1 mt -74.55 -31.83 62.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -58.24 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.98 -31.05 70.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.69 -41.18 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 11.5 m-85 -70.36 -33.23 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -95.49 -25.66 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.7 p -55.44 169.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -30.07 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.0 pt -99.72 48.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 57.1 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 p -144.9 -47.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -106.82 24.37 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -110.33 106.06 15.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.842 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.9 t -67.45 -69.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.52 -171.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.72 139.84 47.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -112.73 91.98 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.794 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 p -61.54 109.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.8 -61.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.87 174.21 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.89 150.8 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -118.2 161.68 19.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.412 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . 21.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.618 0.247 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -135.79 164.56 27.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.4 m -146.85 129.41 15.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.42 116.58 4.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.4 t -83.86 127.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -115.88 79.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.435 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 p -103.64 172.52 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -128.47 108.41 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.813 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.3 m -66.18 79.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.763 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -73.23 145.51 46.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.012 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.49 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 11.1 m-85 -133.78 158.45 43.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.91 146.39 87.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -61.82 -25.86 78.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.559 2.173 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.34 -25.98 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.49 161.15 19.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -164.47 31.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 30.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.13 137.33 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.03 163.68 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -34.02 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.38 -40.12 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.82 80.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.456 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 13.8 mt -71.08 -29.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.429 ' CE2' HD13 ' A' ' 104' ' ' LEU . 81.0 t80 -76.17 -44.11 39.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.44 -53.95 47.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.037 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -71.27 -34.13 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.429 HD13 ' CE2' ' A' ' 100' ' ' TYR . 24.2 mt -64.25 -45.88 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -54.56 -59.78 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.404 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpp -59.12 -27.88 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.267 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.5 p -93.44 16.23 13.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.321 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.1 m80 53.78 67.05 1.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.5 t30 63.56 35.61 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.79 58.04 16.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.9 p -142.09 -43.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.273 . . . . 0.0 111.33 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -127.02 100.58 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -82.96 95.2 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.96 -82.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -133.92 26.17 3.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.56 103.48 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.5 p -71.32 113.42 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -124.53 159.98 29.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -59.78 171.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -111.22 -53.18 2.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -58.71 -34.25 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 p -65.94 -31.25 72.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.9 t -62.19 133.78 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -168.7 158.15 8.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.7 p -152.04 130.08 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.48 170.58 11.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.765 0.317 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.8 136.38 11.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -128.24 109.53 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.18 116.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.45 120.14 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.6 tp -98.61 127.61 44.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -141.69 137.13 31.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 0.0 111.601 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -177.69 113.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.512 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.4 m -71.93 140.54 49.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.407 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 29.4 mt -106.96 140.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -102.15 38.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -151.63 36.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.61 100.54 2.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.76 140.58 47.01 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.35 2.033 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.75 109.37 22.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.92 -169.6 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.27 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.88 -44.72 94.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.2 mm -66.54 -13.94 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.41 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.26 -22.09 22.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.01 107.84 47.28 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 51.2 Cg_exo -52.94 -26.62 32.19 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.473 2.115 . . . . 0.0 112.41 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -58.38 -30.03 66.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 p -73.17 165.9 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.5 m -83.05 -34.33 26.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.09 -32.87 56.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 59.7 t80 -74.28 -55.87 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -59.85 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.345 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -66.59 -41.28 88.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 16.3 tttt -57.77 -39.19 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.237 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -29.65 27.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.148 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.038 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 69' ' ' PHE . 46.1 mt -64.05 -47.24 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -46.44 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.24 -41.66 93.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.715 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.29 95.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 81.6 mt -70.61 -29.35 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -59.59 4.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -61.19 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.83 -50.32 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 61' ' ' PHE . 8.8 m-85 -64.24 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -72.56 -28.85 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -113.6 31.05 6.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.1 p -108.08 165.25 11.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -59.16 -32.2 69.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.8 pt -107.33 52.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.16 28.17 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -116.3 -31.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.428 ' CG ' ' HA ' ' A' ' 91' ' ' ALA . 44.1 m-85 -109.04 -30.06 8.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.057 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 t80 -59.06 127.55 32.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -64.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -173.78 -169.33 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 28.2 p -122.9 146.35 47.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -124.06 103.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.71 105.06 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.63 -55.81 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.79 179.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 44' ' ' ILE . 66.0 m-85 -113.4 127.5 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -97.17 160.12 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -69.96 161.96 28.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.2 m -142.8 143.52 32.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.89 130.9 10.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 33.9 t -97.03 97.17 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.7 81.08 5.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.698 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -178.39 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -137.81 112.42 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.05 78.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.435 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -66.47 141.19 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CE1' ' CD1' ' A' ' 99' ' ' ILE . 5.9 m-85 -128.82 158.76 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.679 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.1 164.47 36.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.02 -32.23 76.07 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.535 2.157 . . . . 0.0 112.165 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.35 -21.74 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.428 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . . . -49.34 128.77 17.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.462 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -138.7 134.49 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.34 75.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 t -130.92 151.97 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.7 158.43 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.95 -30.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.66 -62.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 11.7 mt -62.28 -23.64 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -72.99 -44.71 60.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.14 -45.84 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -29.58 66.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -76.93 -46.56 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.007 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.91 -36.3 83.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -66.01 -28.15 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.205 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 tpp -93.98 -26.1 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.225 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.2 p -96.57 25.58 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.302 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 53.23 66.39 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 111.183 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 t30 61.25 34.63 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.1 44.32 93.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.621 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 p -115.24 -30.01 6.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.59 127.73 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.085 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 113' ' ' LEU . 3.2 tm? -104.71 89.08 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.364 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.4 mt 61.86 -79.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.81 30.63 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -138.95 99.41 3.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.01 117.37 7.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -134.84 159.17 42.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.999 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.45 163.59 27.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -45.46 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.765 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.48 -35.85 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.2 p -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.3 t -59.98 144.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 11.4 t80 -174.03 142.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.406 ' N ' ' CD1' ' A' ' 124' ' ' PHE . 12.8 p -141.77 134.8 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.04 -169.26 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.884 0.373 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.88 156.57 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -128.44 130.56 47.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CG ' HD12 ' A' ' 99' ' ' ILE . 53.0 m-85 -122.16 109.7 14.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -54.65 110.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.059 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 tp -95.2 130.48 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -151.15 144.7 24.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.961 0.41 . . . . 0.0 111.3 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -178.37 120.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.73 131.25 44.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.402 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 30.6 mt -101.84 103.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.047 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -60.54 -29.99 69.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -88.79 53.58 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.63 100.07 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 142.91 46.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.487 2.125 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -96.16 93.34 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -97.15 -175.37 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -70.43 -31.22 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -61.64 -45.86 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.4 mm -58.3 -23.43 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.47 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.205 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.02 115.84 56.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 32.3 Cg_exo -58.3 -18.42 37.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.577 2.184 . . . . 0.0 112.623 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -95.35 36.97 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.7 p -116.78 171.24 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -79.65 -48.46 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -29.49 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 34.4 t80 -79.5 -55.36 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.43 -32.56 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -69.08 -56.98 6.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.4 m -63.55 -36.97 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -62.6 -41.49 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.14 68.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -45.12 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.5 mt -69.25 -49.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.12 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -79.17 -42.16 26.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.09 92.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 91.6 mt -70.88 -30.59 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -65.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -60.0 -28.83 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.96 -43.2 91.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 13.2 m-85 -69.47 -45.76 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -59.63 -26.69 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -112.24 34.11 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p -109.03 -176.53 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -78.22 -29.89 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.3 pt -109.34 53.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -93.22 30.96 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.49 -35.41 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' A' ' 91' ' ' ALA . 30.4 m-85 -106.52 -24.82 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.7 t80 -57.2 144.36 35.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -109.01 -71.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -171.25 175.41 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.31 170.71 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -149.2 82.21 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -63.44 97.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.9 165.14 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -85.75 169.19 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -135.53 123.27 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -58.33 158.79 6.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.9 m -133.31 131.03 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.16 128.08 8.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 45.9 t -94.12 137.39 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.1 79.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 p -106.08 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.086 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -131.44 122.38 26.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 m -82.63 76.8 9.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.625 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -71.91 148.44 46.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.011 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 10.9 m-85 -133.73 165.65 24.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.87 151.22 86.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.65 -22.47 50.5 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.563 2.175 . . . . 0.0 112.42 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.42 -34.61 69.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.408 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . . . -64.81 159.01 23.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.25 31.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.54 37.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -89.6 143.3 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.23 152.28 40.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -59.89 -31.92 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.3 t -71.1 -32.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.06 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.48 HD11 HG23 ' A' ' 99' ' ' ILE . 13.1 mt -75.4 -30.3 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.432 ' CE2' HD12 ' A' ' 104' ' ' LEU . 55.5 t80 -74.16 -39.14 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -72.37 -48.0 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -58.36 -31.45 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.09 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.433 ' CZ ' ' CG2' ' A' ' 107' ' ' THR . 64.4 t80 -77.09 -29.62 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.432 HD12 ' CE2' ' A' ' 100' ' ' TYR . 57.1 mt -72.36 -26.47 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -32.03 65.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.38 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.0 tpp -94.04 -24.2 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.517 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.433 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 71.0 p -93.76 19.09 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.433 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.0 m80 52.96 68.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.9 0.381 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 61.2 28.45 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.989 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.83 40.59 95.63 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.589 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -118.84 -33.43 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.659 0.266 . . . . 0.0 111.272 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -140.76 117.06 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.185 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -90.87 86.43 6.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.613 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.0 mt 60.98 -80.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 113' ' ' LEU . 10.4 t30 -129.21 30.49 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.56 94.49 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.7 p -64.98 114.7 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -131.94 159.86 37.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.9 167.42 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.008 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -104.62 -41.91 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.783 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -25.66 67.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 p -74.92 -34.56 62.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.5 t -59.57 139.07 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -167.6 132.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.34 131.07 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.08 178.46 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.701 0.286 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -142.71 161.66 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -128.79 117.53 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -108.82 108.29 19.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -54.27 110.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.309 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 tp -96.12 125.3 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.405 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -141.45 132.46 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 111.64 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -168.96 112.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 m -70.34 137.18 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.571 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CD1' HG22 ' A' ' 81' ' ' VAL . 17.5 mt -110.8 111.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.876 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 p -70.7 -25.21 62.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -70.08 -18.34 63.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 99.37 9.06 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 111.012 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.28 123.94 9.56 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.571 2.181 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.29 93.89 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.25 -175.4 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.85 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.82 -39.29 93.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.764 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.5 mm -67.31 -14.36 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.384 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.25 30.47 2.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -169.46 98.69 0.49 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.805 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 74.1 Cg_exo -49.32 -25.76 10.5 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.53 2.153 . . . . 0.0 112.502 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -57.41 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -79.62 166.72 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -83.08 -29.25 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -57.67 -32.39 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 51.0 t80 -76.91 -41.8 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.57 -35.48 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -69.93 -49.74 48.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.5 m -67.53 -31.1 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -73.13 -33.38 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.51 -37.87 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.8 t -59.78 -52.31 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.59 -46.66 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.23 -31.22 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -72.47 -35.16 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.65 -37.78 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 mt -67.7 -37.04 81.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.75 -58.54 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.73 -31.33 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.17 -42.56 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 6.4 m-85 -68.57 -39.34 81.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -25.63 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -90.51 -28.05 18.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 p -63.09 173.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 t -75.12 -24.19 58.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.7 pt -94.24 47.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -89.91 22.98 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.42 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.65 -30.45 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.284 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 32.8 m-85 -104.78 -32.2 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.29 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.8 t80 -56.35 140.93 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.028 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.6 t -106.84 -71.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 173.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.5 132.63 55.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.84 103.55 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.43 104.2 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.84 -66.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.18 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.36 114.39 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.08 144.44 42.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.822 0.344 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -84.39 170.94 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.4 m -158.73 114.67 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.08 114.03 4.37 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 20' ' ' ILE . 27.5 t -84.59 97.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.84 86.09 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.59 -175.89 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.06 111.83 8.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 m -70.18 70.71 0.39 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.33 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -70.73 151.24 45.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.249 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' A' ' 99' ' ' ILE . 9.3 m-85 -125.53 179.09 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.13 165.74 13.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.784 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.67 -28.2 80.6 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.507 2.138 . . . . 0.0 112.139 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.85 -28.53 64.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . . . -58.85 154.29 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.02 151.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.4 29.69 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 t -84.1 125.35 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.32 171.85 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -74.51 -46.32 40.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.5 t -58.91 -27.44 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.314 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -62.67 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.318 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 87' ' ' PHE . 8.7 mt -69.3 -24.63 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE1' HG11 ' A' ' 123' ' ' VAL . 51.8 t80 -74.07 -40.82 62.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.55 -52.47 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.136 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -28.93 60.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.64 -46.08 33.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.2 mt -57.57 -50.43 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -54.84 -53.2 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 tpp -64.2 -26.92 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.047 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.4 p -96.35 23.1 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.7 t60 54.11 69.85 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.7 m120 59.73 35.16 22.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.61 55.67 29.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.0 p -133.58 -45.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -132.11 114.87 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.8 tm? -90.46 96.05 10.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.1 mt 62.19 -79.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 2.2 m-80 -138.85 31.87 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.0 103.87 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -68.56 118.62 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -129.29 159.76 35.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.26 163.31 18.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.064 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.66 -38.73 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.787 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -69.73 -18.58 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -83.41 -32.63 26.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 100' ' ' TYR . 26.0 t -59.14 136.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -174.1 127.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.4 p -114.64 111.61 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -114.4 163.18 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.773 0.321 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.93 157.9 41.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -142.38 158.61 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -145.8 118.92 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 118.17 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.425 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 tp -97.55 121.94 40.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -139.65 138.03 35.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.993 0.425 . . . . 0.0 111.361 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -177.83 113.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.62 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.2 m -69.2 135.43 50.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.191 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mt -104.09 98.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.418 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 11.0 p -53.77 -26.54 24.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.11 49.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.975 0.417 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.82 91.04 1.11 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.728 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.18 147.58 88.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.529 2.153 . . . . 0.0 112.384 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -87.57 130.73 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.63 161.92 34.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.23 68.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -44.35 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.8 -16.79 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.432 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.26 -19.88 42.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.411 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.14 107.17 58.64 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 14.7 Cg_exo -67.7 64.46 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.659 2.239 . . . . 0.0 112.131 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -162.34 -37.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.4 p -55.66 -177.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -82.95 -43.36 16.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -56.62 -38.92 72.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 22.8 t80 -66.53 -58.7 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -60.52 -34.12 73.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -73.31 -57.34 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -62.08 -31.63 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 42.2 tttt -70.33 -55.63 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -31.31 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -59.7 -48.1 82.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.38 -41.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -31.54 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -67.87 -43.92 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.32 -30.46 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 78.9 mt -72.12 -41.22 67.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.13 -35.19 74.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -78.2 -29.72 48.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.411 HD11 ' CD1' ' A' ' 103' ' ' PHE . 7.0 tt -66.31 -36.95 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.5 m-85 -70.47 -45.7 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -26.79 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -96.41 -27.33 14.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.7 p -57.43 155.77 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 0.0 111.018 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -28.42 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.9 pt -93.6 46.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -88.11 52.66 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -142.88 -47.43 0.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -94.94 -30.55 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.5 t80 -64.91 123.5 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.35 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.79 179.82 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.85 175.83 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -144.85 99.11 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.47 96.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.61 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.09 -168.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -125.12 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -94.89 154.26 17.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.698 0.285 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 13.4 m170 -126.46 -173.79 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.5 m -163.62 121.25 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.8 111.09 3.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.413 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.62 130.38 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 111.21 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.23 76.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.605 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.35 -177.88 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.081 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -140.19 112.33 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.8 m -69.47 81.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.723 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -74.66 142.9 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.419 ' CE1' HD12 ' A' ' 99' ' ' ILE . 7.7 m-85 -126.96 160.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 166.53 38.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -27.17 42.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.149 . . . . 0.0 112.412 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.0 -31.19 71.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.09 161.18 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.64 -42.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.59 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.34 153.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.19 156.71 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -59.7 -44.26 93.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.17 -29.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 -58.92 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 87' ' ' PHE . 10.6 mt -63.5 -28.37 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.446 ' CE2' ' CD1' ' A' ' 104' ' ' LEU . 73.9 t80 -71.26 -45.69 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.22 -50.57 53.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -29.62 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.411 ' CD1' HD11 ' A' ' 51' ' ' LEU . 81.3 t80 -83.29 -32.43 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 14.2 mt -69.34 -46.11 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.47 -34.94 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpp -83.01 -24.74 32.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.9 p -95.12 29.24 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.175 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 53.26 61.08 3.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 61.64 26.95 16.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.09 37.57 49.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.1 p -116.98 -34.67 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.07 125.37 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -97.79 98.98 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.4 mt 61.58 -80.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.958 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -135.46 43.46 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -154.31 105.79 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.0 p -71.01 113.28 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 pp -123.01 160.24 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -58.65 175.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.071 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -109.67 -64.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -56.41 -24.7 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.6 t -66.1 -40.96 91.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.92 135.88 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -174.0 136.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.5 137.81 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -179.04 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.39 142.43 34.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 10.4 m170 -121.12 111.28 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 127' ' ' SER . 35.2 m-85 -104.95 126.76 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -68.61 111.36 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.8 tp -91.27 135.86 33.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.684 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -154.11 128.32 9.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.916 0.388 . . . . 0.0 111.339 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -165.97 113.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.36 134.53 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.182 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.404 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 16.1 mt -105.97 102.74 14.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -57.93 -30.04 65.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -71.18 -50.16 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.12 112.45 15.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.2 -178.97 4.8 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.278 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 1.5 t80 -137.36 115.1 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -121.68 -175.78 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -60.63 -31.94 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.6 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.45 -16.33 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.53 -24.7 25.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.646 0.26 . . . . 0.0 111.325 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -113.8 115.66 46.01 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 39.7 Cg_exo -60.54 -19.16 58.32 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 112.643 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -67.3 -32.06 72.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.357 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.8 p -69.56 167.17 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.04 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.09 -33.75 26.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -30.24 62.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 36.1 t80 -76.34 -56.52 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -60.2 -31.27 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.37 -60.65 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.5 m -59.54 -30.4 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 59.9 tttt -69.9 -40.98 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -81.32 -29.92 34.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -50.32 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.85 -42.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -30.88 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.17 -42.13 60.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.89 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 84.6 mt -60.04 -29.98 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.008 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.4 -61.49 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.82 -29.92 65.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.76 -37.92 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 7.9 m-85 -67.85 -39.73 83.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.99 -12.26 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -104.31 -29.71 10.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.79 0.329 . . . . 0.0 111.003 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -59.0 153.54 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.1 t -58.65 -26.72 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.31 47.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 26.97 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -122.16 24.09 9.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 110.766 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.413 ' CG ' ' O ' ' A' ' 59' ' ' SER . 33.5 m-85 -162.28 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -52.77 114.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.059 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.61 -64.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.54 -176.01 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 45.2 t -124.33 156.49 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -128.09 105.12 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.61 112.11 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 mt -71.4 -67.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -163.98 -173.91 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.15 125.74 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 112.6 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.422 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 14.8 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -86.27 166.13 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.4 m -163.97 115.37 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.2 110.01 2.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.324 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.404 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 46.9 t -86.49 102.78 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 111.328 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -87.21 87.83 7.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.366 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.78 -174.97 2.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.259 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.24 108.08 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.0 m -70.32 91.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 48.3 m-20 -89.13 144.6 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 111.376 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 14.9 m-85 -129.56 172.13 11.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.51 166.55 35.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 -28.16 18.73 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.534 2.156 . . . . 0.0 112.271 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.23 -31.21 68.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 60' ' ' TYR . . . -78.85 136.98 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.87 32.23 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.86 44.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 22.0 t -108.63 103.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.25 158.34 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.54 -29.82 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.6 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.418 HD12 ' CE1' ' A' ' 87' ' ' PHE . 9.9 mt -65.99 -25.87 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.428 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 48.6 t80 -72.79 -43.76 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.23 -35.18 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -53.08 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.76 -28.45 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.428 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 68.7 mt -85.66 -22.23 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.276 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -30.75 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.194 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 ttp -89.52 -20.1 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.38 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.7 p -95.64 31.42 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.301 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.79 53.78 10.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.62 38.32 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.09 38.06 94.9 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.412 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -109.02 -42.4 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.702 0.287 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -147.14 118.55 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.323 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.8 tm? -91.35 99.34 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.442 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 83.4 mt 62.28 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.99 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' LEU . 47.5 m-80 -138.91 38.83 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -150.17 119.26 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.1 p -80.05 119.23 22.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -135.51 160.09 39.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.7 144.26 41.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.4 ' HA ' HG21 ' A' ' 123' ' ' VAL . 4.3 ttt180 -88.94 -41.85 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -32.18 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.6 p -71.48 -26.73 62.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . 0.4 HG21 ' HA ' ' A' ' 120' ' ' ARG . 19.2 t -59.17 150.54 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.089 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -174.12 141.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.72 122.58 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.236 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.44 162.55 14.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.2 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.65 157.44 44.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.477 ' HB3' HD12 ' A' ' 84' ' ' LEU . 23.4 m-70 -137.94 112.54 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.761 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CE2' HG12 ' A' ' 94' ' ' VAL . 27.9 m-85 -106.34 117.36 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -59.0 108.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.577 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 tp -87.62 129.9 34.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -148.4 141.05 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.0 111.52 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -178.81 113.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -69.93 131.11 43.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 mt -94.07 101.69 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 70.7 p -55.35 -27.78 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.34 58.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.29 89.35 1.39 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.92 157.57 10.29 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.476 2.117 . . . . 0.0 112.307 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -116.01 82.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 p -92.64 174.56 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -60.0 -28.95 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.21 -50.07 74.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.06 -29.12 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -24.43 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -130.12 117.58 18.1 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 48.6 Cg_exo -55.64 -21.8 33.16 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.416 2.078 . . . . 0.0 112.433 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 t -51.84 -29.54 19.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 p -82.19 165.26 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -81.52 -29.18 33.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -56.74 -28.25 60.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 63.5 t80 -84.71 -46.25 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.13 -30.88 71.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -55.5 7.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.0 m -59.08 -38.63 79.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.82 -51.26 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.46 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 t -59.55 -48.5 81.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -70.6 -51.7 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.297 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.25 -32.56 66.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.22 -38.55 56.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.74 -36.09 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 63.3 mt -72.55 -31.07 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -59.05 -61.88 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -58.53 -30.15 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 103' ' ' PHE . 6.7 tt -65.55 -30.88 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 m-85 -72.61 -39.3 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -73.32 -19.14 61.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -107.23 34.66 3.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.82 169.16 15.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 pt -98.57 49.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -93.52 38.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 t -135.9 -46.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -85.53 -31.01 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -64.68 123.61 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 t -88.81 -63.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.45 -177.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.46 156.28 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -135.67 93.17 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.69 103.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.49 -66.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.97 -174.26 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -112.32 116.51 30.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -77.75 144.49 37.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.664 0.268 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 67.1 m170 -122.4 -178.12 3.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.0 m -162.25 103.88 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.71 98.18 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.49 132.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.394 . . . . 0.0 111.051 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.41 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.433 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.48 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.03 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -134.48 114.01 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.849 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.422 ' N ' HD13 ' A' ' 84' ' ' LEU . 7.8 m -65.27 81.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.393 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 17.5 m-20 -70.83 128.14 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CE1' ' CD1' ' A' ' 99' ' ' ILE . 5.8 m-85 -116.77 150.26 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.21 165.67 45.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.29 -33.71 89.09 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.466 2.111 . . . . 0.0 112.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.7 -27.24 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.31 158.41 5.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -176.66 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 55.64 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.42 HG12 ' CE2' ' A' ' 14' ' ' PHE . 5.3 t -139.11 135.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.41 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 m-20 -119.41 -62.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.015 0.436 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 179.93 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.82 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.7 t -61.4 -26.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -62.99 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.428 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 11.0 mt -64.71 -23.9 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.413 ' CE2' HD11 ' A' ' 104' ' ' LEU . 50.3 t80 -76.92 -45.32 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.49 -44.96 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.44 -37.51 75.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.426 ' CZ ' HG23 ' A' ' 107' ' ' THR . 75.5 t80 -73.53 -46.13 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 100' ' ' TYR . 9.9 mt -60.01 -34.36 73.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -71.18 -29.7 65.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.6 tpp -91.18 -25.53 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.261 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.426 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 p -95.25 20.79 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.255 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.79 77.86 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.13 27.01 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.12 50.11 71.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.4 p -125.16 -38.84 2.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.157 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -129.62 104.27 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.2 tm? -82.51 94.61 7.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 24.5 mt 62.01 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 6.9 m120 -120.29 -38.51 2.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -76.74 127.28 32.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.9 p -90.98 118.32 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.734 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -128.1 160.44 31.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.183 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -64.79 178.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -41.98 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.3 70.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.9 t -75.87 -30.95 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.34 132.28 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 125' ' ' VAL . 49.0 t80 -174.02 163.3 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.432 ' N ' ' CD2' ' A' ' 124' ' ' PHE . 12.2 p -150.25 129.5 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -119.37 178.51 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.11 135.66 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.401 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 27.8 m170 -126.61 114.39 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 43.9 m-85 -110.35 122.16 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.12 122.57 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 tp -106.13 113.38 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -135.9 144.6 45.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.017 0.437 . . . . 0.0 111.346 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -178.38 121.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.52 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.6 m -74.24 135.77 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.2 mt -101.84 142.44 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -108.05 23.03 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -119.47 -30.65 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.15 105.75 15.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.17 114.01 3.86 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.412 2.075 . . . . 0.0 112.311 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 24.6 t80 -62.06 123.14 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.44 178.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.67 -30.95 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.33 80.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 mm -69.83 -12.78 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.06 -17.59 34.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.639 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 mt-30 -126.66 117.61 22.7 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 14.3 Cg_exo -68.12 62.55 1.02 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.589 2.192 . . . . 0.0 112.131 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -148.31 -40.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.3 p -61.17 177.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.6 m -83.06 -38.52 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -38.85 78.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.431 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 33.2 t80 -59.82 -48.83 80.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -73.5 -35.77 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -57.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.6 m -62.2 -40.88 97.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -58.86 -37.28 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.17 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -47.02 87.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mt -71.08 -44.89 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.35 -32.2 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -76.05 -40.76 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.98 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 88.1 mt -71.59 -31.85 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -58.46 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.61 -31.47 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.8 -35.5 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 10.3 m-85 -72.69 -36.88 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -29.06 63.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -92.42 -25.32 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.3 p -56.16 170.33 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 m -74.68 -29.65 61.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.0 pt -93.81 45.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -89.46 51.27 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.46 -45.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -111.05 24.04 13.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 52' ' ' PHE . 3.1 t80 -105.75 123.97 48.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 -74.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -169.75 -176.04 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.37 -179.05 3.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.94 88.04 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.64 104.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.07 -63.84 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -166.34 -172.65 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -116.48 130.81 56.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.42 119.26 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.415 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . 40.0 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.819 0.342 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -63.8 172.19 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.0 m -146.12 128.49 15.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.23 119.94 5.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -94.61 126.58 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 84.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 p -106.44 -177.68 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.76 119.16 16.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.9 79.14 9.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.401 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 59.5 m-80 -72.18 155.75 39.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -136.28 168.55 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 154.94 88.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.32 -28.04 15.59 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.62 2.213 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.36 -45.57 93.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.57 -179.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -177.6 -37.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.48 49.04 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 46.5 t -106.75 102.57 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.745 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -75.56 154.8 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.9 ptp180 -61.45 -41.36 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.24 -26.51 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.259 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.52 -54.72 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.208 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.38 -21.8 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' A' ' 104' ' ' LEU . 52.3 t80 -81.86 -44.13 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.66 -50.73 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.33 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -63.72 -38.26 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.251 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.094 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' A' ' 100' ' ' TYR . 16.5 mt -75.31 -30.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -28.75 66.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.51 -23.34 19.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.5 p -95.77 23.65 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.257 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 52.47 65.23 1.57 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 46.3 t30 61.85 30.38 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 56.62 14.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.8 p -128.67 -44.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -132.39 116.28 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -94.24 91.65 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.704 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.8 mt 61.05 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -133.33 37.69 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -153.47 111.02 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.1 p -75.15 120.81 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -134.5 159.08 42.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -70.36 162.23 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -94.3 -45.25 7.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -58.14 -34.25 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.7 p -69.14 -30.49 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.6 t -67.09 134.85 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -173.68 153.8 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.2 p -140.77 118.0 8.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.98 165.81 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -135.07 153.49 52.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.407 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 12.8 m-70 -124.58 106.03 9.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.736 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -95.29 107.79 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -54.26 112.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 tp -98.69 127.46 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -146.85 137.53 23.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -169.59 126.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.8 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -71.15 130.51 41.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.2 mt -107.77 102.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.422 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 31.1 p -60.86 -24.13 65.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -88.37 53.65 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -172.59 96.05 0.37 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.87 129.13 17.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.424 2.083 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -80.17 117.95 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.14 176.74 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.76 -49.93 75.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.81 -21.87 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.17 31.07 2.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.91 100.21 0.93 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 76.8 Cg_exo -50.34 -25.06 12.96 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.46 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -56.67 -29.03 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.2 p -83.95 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -83.06 -30.22 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -56.72 -28.47 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 88.4 t80 -67.57 -53.53 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.49 -30.66 66.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.0 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -65.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -59.74 -30.64 68.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 17.1 ttmm -64.11 -59.68 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.14 -31.26 70.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.049 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 mt -74.06 -48.51 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.16 -40.3 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.11 -47.75 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.91 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 25.5 mt -70.88 -30.8 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -59.41 -27.73 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.05 -53.2 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 8.8 m-85 -59.68 -42.74 93.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -66.97 -15.41 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.351 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -105.41 -28.93 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.7 p -58.01 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -96.6 28.52 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.8 pt -151.96 49.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.09 34.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.94 -39.59 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.03 -33.15 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 1.1 t80 -60.03 131.36 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -100.37 -60.64 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -177.28 -177.13 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.59 150.78 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.784 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.3 100.77 7.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.7 116.13 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.89 -65.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.07 -170.79 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.97 134.76 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -102.54 161.29 13.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.607 0.241 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 40.4 m170 -120.34 -174.71 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -156.55 115.16 3.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.94 105.73 1.75 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.98 134.48 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 111.205 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.68 75.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.078 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -139.68 115.94 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.04 77.88 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.526 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.407 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 9.4 m-80 -69.68 145.48 52.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 8.3 m-85 -132.71 -179.92 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.857 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 m -91.85 158.83 39.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.83 -26.59 27.07 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.531 2.154 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.77 -36.38 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.32 177.99 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -178.61 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.05 50.19 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.8 t -106.23 95.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -60.47 166.02 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.995 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -74.9 -39.3 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.6 t -62.03 -25.77 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -63.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 87' ' ' PHE . 8.9 mt -67.66 -26.72 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.415 ' CD2' HD12 ' A' ' 104' ' ' LEU . 73.8 t80 -69.53 -42.97 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -79.27 -44.49 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.4 -33.09 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -75.6 -44.73 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' A' ' 100' ' ' TYR . 19.7 mt -59.01 -41.48 87.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -58.91 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.3 tpp -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.501 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.9 p -95.99 27.34 3.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 54.74 60.49 3.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.87 28.37 12.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.33 35.7 77.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.784 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.8 p -120.22 -15.36 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -158.15 114.16 2.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.5 tm? -97.46 90.76 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.71 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.078 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 m120 -133.67 37.96 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -151.04 94.55 2.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.13 127.75 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -143.17 159.46 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.41 160.88 31.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.16 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -95.08 -53.73 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -31.06 70.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.4 p -60.08 -31.25 69.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.82 146.69 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -169.96 125.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.95 126.21 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.44 177.11 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.0 p . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -112.27 163.64 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.419 ' CG ' HD12 ' A' ' 84' ' ' LEU . 44.7 m170 -137.19 95.58 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -85.17 113.2 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.26 119.48 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 tp -98.2 133.55 42.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.48 137.52 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -177.39 123.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.774 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.0 m -74.95 131.99 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.7 mt -100.45 97.71 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.423 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 32.2 p -53.87 -26.14 23.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -87.8 52.41 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.45 88.32 0.33 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.701 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.28 126.81 17.77 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.486 2.124 . . . . 0.0 112.347 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -63.5 97.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -104.67 168.98 8.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.51 -28.27 65.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.17 -45.58 73.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -68.18 -28.12 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.92 -9.6 58.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.497 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -124.67 109.49 28.28 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 15.8 Cg_exo -67.58 61.85 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.646 2.23 . . . . 0.0 112.366 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -170.7 34.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.9 p -128.64 -175.52 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -83.1 -52.37 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.098 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -57.32 -28.86 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 66.2 t80 -77.38 -49.42 14.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -69.79 -30.72 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.05 -41.24 62.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.0 m -72.44 -47.15 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE3' ' CZ ' ' A' ' 37' ' ' TYR . 5.1 ttmt -58.52 -48.44 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -40.89 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -70.23 -48.67 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -43.0 94.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -69.25 -49.16 58.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.47 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 12.4 mt -72.61 -33.47 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -63.43 -39.19 93.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -55.15 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -49.04 -39.4 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 15.9 m-85 -59.55 -47.77 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 mtm105 -74.91 -7.28 53.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.11 -28.75 12.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.2 p -66.23 176.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.08 -22.92 38.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 pt -92.93 45.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 38.91 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.12 -45.33 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -110.2 -27.23 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -55.51 127.76 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.11 -66.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -164.33 -177.1 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.82 164.83 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -132.22 97.22 4.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.21 110.16 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.71 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.28 -179.49 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -107.84 176.28 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -147.57 155.11 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.62 0.247 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 19.6 m170 -127.95 -179.79 5.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.8 0.333 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.5 m -159.46 126.49 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.72 134.1 12.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.28 138.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.238 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.55 76.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.89 -177.86 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 HD12 ' CG ' ' A' ' 13' ' ' HIS . 3.2 tm? -135.86 119.44 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.984 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.7 m -73.4 83.11 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.25 139.7 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.31 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 6.3 m-85 -130.47 -176.88 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.908 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.64 166.07 17.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.13 -33.68 11.25 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.555 2.17 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.73 -31.21 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.02 165.73 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -178.7 -38.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -94.05 46.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.85 121.98 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.6 160.4 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.93 -28.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 87' ' ' PHE . 11.0 mt -64.14 -19.53 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 104' ' ' LEU . 63.8 t80 -82.16 -46.07 14.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.31 -29.14 63.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.261 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.65 -30.36 26.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.074 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -76.47 -28.84 56.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.42 HD11 ' CE1' ' A' ' 100' ' ' TYR . 11.6 mt -84.37 -38.54 20.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -61.68 -51.65 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -63.18 -25.16 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.7 p -97.02 29.28 3.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.046 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.31 59.47 4.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.08 0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 62.17 37.42 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.69 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.92 70.2 1.08 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.332 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.9 p -141.58 -45.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -129.0 98.87 5.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 111.353 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 113' ' ' LEU . 1.9 tm? -85.8 85.99 7.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.5 mt 60.98 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -132.51 30.49 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -149.85 97.8 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -64.94 123.43 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -136.27 158.83 43.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.9 167.17 21.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.248 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 -49.28 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -57.33 -31.53 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.9 p -70.47 -30.53 67.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.41 143.32 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.015 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -171.19 133.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.1 p -131.97 134.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.31 174.6 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.754 0.311 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.99 131.97 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -126.82 116.79 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 60.2 m-85 -108.78 110.95 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' VAL . 4.0 t30 -55.37 111.69 0.94 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.4 tp -88.24 136.22 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -153.31 140.18 19.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.976 0.417 . . . . 0.0 111.302 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -178.29 116.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.532 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -69.21 133.49 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.449 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.402 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 23.5 mt -106.01 108.73 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 p -68.33 -30.5 69.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.223 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -79.35 -2.91 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.55 90.65 2.84 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.24 116.36 4.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.515 2.144 . . . . 0.0 112.257 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -80.03 128.45 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 m -135.95 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -64.23 -45.82 86.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.49 -13.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.391 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.57 -24.64 20.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.712 0.291 . . . . 0.0 111.192 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -122.52 118.57 28.62 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 40.4 Cg_exo -56.75 -20.9 37.25 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.514 2.143 . . . . 0.0 112.434 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 t -53.71 -29.11 37.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.2 p -84.14 165.46 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.991 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 m -83.14 -30.78 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.041 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -58.03 -28.14 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 27.3 t80 -75.08 -36.24 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -82.07 -38.39 24.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -70.37 -47.72 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.1 m -64.7 -46.25 83.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -58.66 -44.46 90.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -71.61 -30.66 66.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -62.13 -45.32 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.995 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.407 HD11 ' CZ ' ' A' ' 69' ' ' PHE . 41.5 mt -70.25 -46.89 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -36.44 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.6 -45.47 58.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.03 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 24.9 mt -71.08 -29.89 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.39 -59.48 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -59.63 -31.16 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.98 -52.77 63.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 m-85 -61.16 -41.45 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -61.91 -29.3 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -94.85 -27.22 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.4 p -57.26 155.24 9.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.028 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -59.04 -28.6 66.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.8 pt -93.88 46.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -90.29 46.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.8 t -140.52 -47.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -91.52 -29.0 17.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.8 t80 -67.72 95.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -60.61 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.78 -171.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 52.6 t -128.92 154.14 46.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -132.96 121.89 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.87 116.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.1 mt -75.05 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.11 171.67 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 43.5 m-85 -104.97 132.31 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.09 109.48 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.843 0.354 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -72.13 173.42 8.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.0 m -162.69 109.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 106.6 1.86 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.416 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 61.9 t -70.62 141.59 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.193 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -130.02 76.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.541 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.76 -178.86 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -137.22 118.11 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 3.9 m -73.62 82.08 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.362 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.81 124.28 22.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.098 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.478 ' CE1' ' CD2' ' A' ' 61' ' ' PHE . 5.0 m-85 -116.57 155.78 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.42 159.16 80.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.64 -14.84 43.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.589 2.193 . . . . 0.0 112.54 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.3 -34.61 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.14 178.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.088 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 178.94 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 32.19 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.295 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' CE2' ' A' ' 87' ' ' PHE . 15.1 t -87.47 140.01 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.65 155.43 45.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -30.59 67.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.86 -30.19 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.5 -62.98 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.193 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.456 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 10.6 mt -63.98 -23.57 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -75.03 -44.39 48.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.84 -51.49 13.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -28.56 64.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -77.06 -58.96 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.227 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.3 mt -56.19 -39.82 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -28.17 69.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 tpp -87.31 -25.97 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.332 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.3 p -93.84 43.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 54.64 52.13 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 62.32 48.25 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.86 40.81 95.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.719 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.6 p -124.3 -38.17 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.249 . . . . 0.0 111.35 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -143.32 116.96 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.215 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.5 tm? -94.61 92.19 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 83.7 mt 61.66 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 5.4 m120 -133.84 43.17 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 87.8 m-85 -158.47 114.25 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.4 p -77.68 118.05 19.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -135.22 159.75 40.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.28 144.69 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -47.28 19.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -58.94 -32.88 70.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 t -63.47 -33.86 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 18.2 t -59.67 150.19 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -174.02 131.9 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 15' ' ' ASN . 14.9 p -129.48 117.38 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.79 170.61 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.988 -179.863 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.805 0.336 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.82 146.23 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.407 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 31.9 m170 -128.05 109.31 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.92 118.1 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.736 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.97 119.0 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.4 tp -98.35 128.32 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.56 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -146.31 135.27 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.425 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 81' ' ' VAL . 19.0 p90 -171.27 115.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.444 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -77.65 132.7 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.401 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 19.0 mt -97.0 131.41 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.826 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.421 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 6.3 p -97.11 32.03 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -146.44 30.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.97 105.4 4.86 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.768 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.4 143.09 62.22 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.373 2.049 . . . . 0.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -102.88 122.31 44.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 p -128.47 177.15 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.3 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -59.56 -28.42 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.83 -18.98 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.324 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.7 113.46 22.61 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 51.3 Cg_exo -53.14 -23.64 23.2 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.516 2.144 . . . . 0.0 112.439 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -55.46 -29.68 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 p -74.64 162.94 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -82.93 -29.77 28.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -58.72 -29.83 66.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 65.2 t80 -80.66 -53.45 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -59.92 -31.3 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -65.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -61.23 -31.23 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.92 -31.12 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -83.49 -40.36 19.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -59.46 -43.2 93.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 mt -69.92 -45.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.94 87.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.36 -37.77 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.72 -35.15 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 72.3 mt -72.4 -30.73 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -59.66 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.991 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.12 -30.25 67.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.02 -36.42 79.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.4 m-85 -76.81 -41.46 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -26.54 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -88.64 -29.53 19.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.7 p -66.44 161.45 22.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.996 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -59.89 -26.39 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.0 pt -93.21 45.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -91.53 50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -141.7 -47.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -90.0 -36.7 14.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -59.54 115.35 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -61.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -175.38 -176.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.04 150.19 32.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -120.83 93.7 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.1 p -68.66 107.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.14 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.93 -171.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -113.94 119.17 36.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -78.34 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 52.9 m170 -117.0 -179.91 3.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -163.88 120.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.52 108.45 2.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.42 HG12 ' CZ ' ' A' ' 18' ' ' PHE . 36.6 t -77.98 93.12 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.215 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.73 86.84 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.669 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 p -108.95 -177.58 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -136.16 118.8 15.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 44.9 m -78.53 81.13 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.407 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 4.6 m-80 -70.11 142.3 52.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.3 m-85 -131.41 -177.03 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.833 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.12 151.77 42.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.88 -20.79 68.78 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.607 2.204 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.33 -27.08 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.48 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 62.28 24.13 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 30.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 87' ' ' PHE . 28.4 t -100.82 149.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.83 159.34 40.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -62.23 -34.53 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.23 -30.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.86 -54.74 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.42 HD11 ' CE1' ' A' ' 87' ' ' PHE . 9.7 mt -65.94 -25.6 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' A' ' 104' ' ' LEU . 78.4 t80 -75.68 -44.22 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.41 -54.77 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -35.26 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.119 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -65.21 -45.7 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.024 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.412 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -63.39 -37.26 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.08 -33.28 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.2 tpp -87.69 -24.33 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.331 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.4 ' CG2' HD22 ' A' ' 113' ' ' LEU . 22.3 p -95.73 25.05 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.238 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 52.01 78.83 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.189 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 55.78 29.21 13.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.88 66.09 2.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.407 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.4 p -146.34 -44.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.709 0.29 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 4.7 tt0 -122.52 99.76 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 111.217 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.4 HD22 ' CG2' ' A' ' 107' ' ' THR . 2.0 tm? -70.23 91.21 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.2 mt 62.18 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -115.72 -35.47 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -76.88 159.17 30.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 71.0 p -117.34 114.22 23.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -127.79 161.89 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.166 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.77 172.45 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -105.79 -50.23 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -52.52 -28.29 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.3 t -77.74 -28.88 50.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.15 135.71 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 20.7 t80 -174.04 148.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . 0.44 ' N ' ' CD1' ' A' ' 124' ' ' PHE . 14.4 p -145.25 138.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.77 -172.61 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.837 0.351 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -145.5 133.89 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.41 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 32.7 m170 -114.73 119.05 35.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CZ ' ' O ' ' A' ' 94' ' ' VAL . 84.4 m-85 -107.1 109.41 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -58.15 106.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.02 125.86 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -144.14 141.01 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 111.466 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE1' HG12 ' A' ' 81' ' ' VAL . 21.7 p90 -178.17 112.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.478 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -67.63 133.72 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.243 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.405 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 22.3 mt -103.08 100.11 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.417 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 36.1 p -53.14 -28.69 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.243 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -94.44 44.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -151.93 91.83 3.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.62 144.35 54.45 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.481 2.121 . . . . 0.0 112.334 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -103.72 128.99 51.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.5 p -132.23 179.02 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.7 -30.38 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.8 -46.96 76.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 36' ' ' LYS . 29.6 mm -66.42 -14.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.59 36.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.264 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 6.2 mt-30 -119.21 137.35 25.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 5.8 Cg_exo -73.99 -2.56 12.45 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.674 2.249 . . . . 0.0 112.745 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 t -94.27 32.63 1.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.638 0.256 . . . . 0.0 111.292 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 p -138.66 140.06 38.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m -57.56 -38.99 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HG3' ' CD1' ' A' ' 29' ' ' ILE . 11.4 tptp -59.13 -29.21 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.436 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.6 t80 -73.74 -61.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.62 -30.64 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.31 -52.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -44.65 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -59.43 -56.3 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -58.81 -38.76 79.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -60.11 -50.83 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 mt -71.31 -47.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -29.8 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.81 -45.19 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.28 83.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.7 mt -71.95 -30.96 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -57.73 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -63.25 -26.91 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.74 -30.4 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.1 m-85 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 -56.03 -23.45 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -88.14 -29.04 20.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.3 p -62.69 168.86 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 p -70.61 -26.96 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.9 pt -94.16 46.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -89.53 52.35 2.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -137.59 -52.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -88.21 -30.24 19.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 t80 -56.98 107.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -76.87 -60.76 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -177.2 176.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -111.77 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -96.25 101.17 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 p -73.08 107.88 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.11 -65.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.39 -176.1 2.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -113.68 136.17 53.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -88.92 131.95 34.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.676 0.274 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 7.5 m170 -103.36 172.02 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -150.39 110.7 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 112.56 4.96 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.416 HG12 ' CE1' ' A' ' 18' ' ' PHE . 48.2 t -73.62 133.5 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.51 78.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.367 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.63 175.92 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -135.26 103.47 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.7 m -67.52 76.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 110.463 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.41 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 2.8 m-80 -69.23 146.03 52.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 13.5 m-85 -133.31 148.92 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -56.8 153.88 20.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.34 -31.2 94.56 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.557 2.171 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.0 -31.49 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.28 135.52 54.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.94 33.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -167.58 33.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 21.2 t -97.33 87.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.57 156.77 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.61 -29.65 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.65 -59.88 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 87' ' ' PHE . 8.4 mt -69.84 -23.69 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE2' HD12 ' A' ' 104' ' ' LEU . 57.8 t80 -75.83 -41.57 52.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -74.95 -41.3 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.27 -37.71 78.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . 0.411 ' CE1' HG21 ' A' ' 107' ' ' THR . 35.0 t80 -71.58 -47.63 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 100' ' ' TYR . 21.3 mt -60.06 -42.18 93.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -42.81 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 tpp -78.12 -28.71 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.21 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . 0.411 HG21 ' CE1' ' A' ' 103' ' ' PHE . 42.9 p -97.08 26.42 4.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.0 m170 51.59 78.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 52.04 26.32 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.57 70.43 1.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.421 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -139.61 -46.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.7 119.83 19.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -95.03 92.24 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.724 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 33.4 mt 61.03 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -131.76 29.52 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.773 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -141.02 109.33 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.2 p -75.82 115.98 16.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.004 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -128.91 160.41 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.72 159.94 19.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.8 ttp-105 -90.5 -42.77 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -34.33 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.3 p -71.37 -29.76 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.5 145.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -171.59 127.27 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.818 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.18 112.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.2 161.63 25.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.805 0.336 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -120.77 152.19 38.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -117.12 133.45 55.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 16.6 m-85 -125.26 104.42 8.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.752 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.59 111.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.267 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 tp -99.06 115.27 28.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -130.6 140.2 50.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 111.249 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -178.25 127.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.57 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -84.84 138.61 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.392 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mt -106.97 130.18 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.877 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 p -96.17 20.79 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -113.22 -31.26 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -91.91 105.0 11.91 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.786 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.33 130.65 22.96 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.334 2.023 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.03 153.57 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -162.05 162.94 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -30.96 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.6 -42.46 74.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.43 -17.09 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.411 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.76 28.33 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.99 109.53 0.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.437 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 50.7 Cg_exo -53.98 -21.87 22.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.468 2.112 . . . . 0.0 112.504 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -56.27 -34.23 66.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.9 p -76.92 164.9 25.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 m -83.13 -29.46 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -58.23 -30.02 66.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 61.8 t80 -71.97 -55.62 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.73 -38.59 88.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -60.04 -57.54 12.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.3 m -64.64 -38.78 92.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 37' ' ' TYR . 15.1 ttpt -60.33 -36.49 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -39.96 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -45.96 92.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -67.2 -40.92 86.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.59 -30.49 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.6 -47.11 28.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.41 98.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 92.2 mt -68.22 -32.99 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.04 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.42 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -55.78 -64.54 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.04 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.35 -27.37 62.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.85 -36.22 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 49' ' ' ASN . 1.5 m-85 -73.67 -47.09 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -26.16 36.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -104.33 -16.24 15.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.2 p -54.16 158.16 2.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.776 0.322 . . . . 0.0 111.152 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -64.29 -25.39 68.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.9 pt -103.88 51.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -85.62 50.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.208 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -146.69 18.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.079 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CG ' ' O ' ' A' ' 59' ' ' SER . 18.4 m-85 -162.65 -43.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.942 0.401 . . . . 0.0 110.711 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -52.98 121.05 6.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 t -89.64 -60.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -179.15 -178.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.68 168.23 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -134.65 98.31 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.51 102.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.32 -56.65 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.37 -173.77 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.35 167.36 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -128.22 141.71 51.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.632 0.253 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -134.02 179.06 6.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.746 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.7 m -159.81 123.88 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.28 150.49 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -121.04 122.54 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 111.276 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.38 81.47 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.458 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 p -101.5 174.84 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.46 109.52 8.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.998 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.4 m -67.25 76.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.516 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.2 145.54 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 10.9 m-85 -130.19 144.07 51.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.799 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.01 155.32 64.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -55.92 -28.09 66.57 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.522 2.148 . . . . 0.0 112.272 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.34 -27.23 66.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.1 148.31 22.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -167.9 150.9 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.65 35.58 11.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.7 t -103.16 123.02 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -98.62 172.46 7.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -72.36 -34.19 67.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 t -66.83 -29.08 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.15 -60.38 3.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.423 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 10.2 mt -63.34 -26.33 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.437 ' CE2' ' CD1' ' A' ' 104' ' ' LEU . 84.7 t80 -72.54 -45.52 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.43 -54.27 30.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -28.94 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.277 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -75.33 -31.57 60.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.124 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.437 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 71.2 mt -79.6 -29.6 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.089 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -35.71 76.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.0 tpp -84.67 -23.58 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.298 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 38.2 p -95.25 22.64 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.304 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 51.92 81.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 53.59 27.08 6.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.51 77.04 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.0 p -156.82 -43.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -125.12 100.07 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.199 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.39 89.58 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.435 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 83.7 mt 62.2 -80.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.85 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.66 -34.83 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -80.6 129.98 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.089 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 21.7 p -93.57 115.55 28.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.656 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -125.76 160.31 30.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 0.0 111.222 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.02 -170.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.217 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -121.38 -43.68 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -39.76 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -65.42 -29.54 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.74 130.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -173.93 127.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.2 p -117.71 130.05 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.264 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.88 162.8 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 48.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.741 0.305 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.44 131.97 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 111.052 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.412 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 53.5 m170 -130.18 117.14 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.794 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 26.9 m-85 -106.41 110.88 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -55.69 109.33 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 tp -95.16 127.58 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -147.52 142.0 26.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -176.14 115.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.1 m -65.4 130.9 44.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.7 mt -105.31 95.98 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.844 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.0 p -56.27 -27.2 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -71.51 -15.81 62.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -114.18 91.76 24.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.63 162.08 16.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.525 2.15 . . . . 0.0 112.074 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 9.0 t80 -116.09 97.79 6.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -98.02 -176.53 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -29.12 65.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.46 -50.12 75.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.92 -29.02 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.075 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.94 -20.4 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -128.19 119.85 20.99 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 52.9 Cg_exo -55.25 -22.78 34.15 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.446 2.097 . . . . 0.0 112.444 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 t -56.2 -28.85 59.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.4 p -71.97 160.11 33.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 m -83.05 -28.11 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 57.7 t80 -61.57 -51.7 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.9 -34.1 71.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.85 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.2 m -60.9 -33.17 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.993 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.48 -42.96 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.091 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -78.16 -29.65 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 t -65.62 -47.19 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.77 -47.46 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -30.7 67.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -80.86 -37.06 30.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.38 -33.33 67.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 14.5 mt -71.1 -39.3 72.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -57.82 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.975 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.97 -30.51 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' ' CD2' ' A' ' 113' ' ' LEU . 10.0 tt -66.59 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 17.8 m-85 -75.06 -35.67 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -13.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.341 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -109.37 30.29 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 p -123.2 169.58 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -70.61 -27.71 64.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.79 43.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 45.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.1 m -126.44 -43.3 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -106.12 -29.8 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.505 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.6 t80 -57.89 126.99 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.2 p -98.48 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.41 -173.63 1.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.23 158.82 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -123.05 96.12 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p -68.69 98.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.45 -64.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.64 -178.22 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -111.54 136.98 49.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -103.52 155.52 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 41.4 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.76 0.314 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -131.63 -169.83 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 m -164.46 115.93 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 113.62 4.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.371 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.09 134.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.84 81.78 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.474 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.66 179.98 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.253 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -137.81 111.28 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 35.5 m -66.08 79.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.327 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 14.2 m-80 -68.3 139.99 55.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.398 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 99' ' ' ILE . 7.1 m-85 -129.25 164.18 24.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.87 148.63 57.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.92 -27.02 83.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.559 2.173 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.24 -32.63 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.45 -178.51 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.29 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -94.45 37.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.79 108.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 160.86 14.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.037 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.09 73.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -59.98 -30.82 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.08 -62.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 8.7 mt -67.46 -16.94 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.417 ' CZ ' HD12 ' A' ' 104' ' ' LEU . 33.4 t80 -81.16 -42.29 21.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.87 -29.91 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -74.91 -32.45 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.59 -48.93 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.417 HD12 ' CZ ' ' A' ' 100' ' ' TYR . 66.6 mt -61.82 -39.77 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -60.19 -36.75 78.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 tpp -81.11 -29.4 34.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.2 p -95.45 22.24 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.8 m80 54.24 71.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.0 t30 58.22 32.46 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.038 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.32 68.93 1.44 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.5 p -134.9 -45.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.748 0.309 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -140.47 105.7 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.101 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.9 tm? -78.89 97.42 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 69.2 mt 61.75 -80.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.4 t-20 -136.65 35.99 2.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -143.86 107.71 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.6 p -72.2 114.07 9.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -128.61 160.46 32.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.44 160.82 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -97.08 -42.56 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -32.4 69.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.3 p -70.34 -25.69 63.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 41.6 t -57.51 152.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -169.83 115.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.43 79.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.998 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.48 147.54 24.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 30.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -142.88 168.52 19.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -137.62 128.16 26.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 89.4 m-85 -117.78 109.65 16.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -50.87 105.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.395 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 tp -85.72 138.41 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -152.63 134.72 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.358 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -176.81 113.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.645 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -74.74 138.73 42.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mt -101.08 146.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.906 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.0 p -108.47 33.22 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -153.62 30.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.83 94.49 12.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.766 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.2 126.89 18.79 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.073 . . . . 0.0 112.353 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 26' ' ' SER . 15.0 t80 -85.56 156.86 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.4 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 37.8 m -161.72 172.45 16.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -31.05 69.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -60.58 -43.36 97.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.6 -15.41 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.437 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.78 20.31 10.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.268 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.44 115.86 1.16 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.721 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 35.6 Cg_exo -59.31 -18.39 45.06 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.436 2.09 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -62.04 -31.9 72.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.089 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.5 p -77.73 166.02 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.2 m -83.06 -37.11 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -54.22 -28.55 41.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 55.4 t80 -67.22 -59.47 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.94 -35.82 81.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.07 -52.54 64.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.7 m -72.86 -38.58 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -65.62 -32.93 74.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -82.14 -32.57 30.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -61.08 -56.45 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.34 -42.01 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.43 -30.88 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.647 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -76.94 -41.54 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.67 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 13.7 mt -62.0 -39.58 92.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -80.97 -23.73 38.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 tt -78.04 -36.73 48.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' A' ' 61' ' ' PHE . 13.6 m-85 -68.2 -50.66 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -23.95 57.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -100.42 -25.12 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 97.7 p -56.2 162.39 2.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.147 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 p -58.51 -22.15 54.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -110.56 55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.026 0.441 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 25.25 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.332 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.6 p -129.22 19.83 5.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.98 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 59' ' ' SER . 20.4 m-85 -152.23 -45.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 52' ' ' PHE . 2.6 t80 -54.77 115.79 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.9 p -76.77 -73.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -159.33 -174.02 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.44 141.61 47.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -115.17 93.7 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 p -68.56 115.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.15 -66.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.13 -169.87 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -122.5 131.47 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -94.15 115.02 27.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.771 0.319 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -78.8 176.35 9.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 83.3 m -161.71 133.6 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.37 119.46 4.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.9 t -87.35 93.79 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.23 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.54 87.44 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 p -108.94 -177.33 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -137.65 119.99 15.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 m -70.03 84.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 128.36 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.016 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.47 ' CE1' ' CD2' ' A' ' 61' ' ' PHE . 6.1 m-85 -117.34 173.19 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.42 166.04 12.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.06 -33.45 73.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.518 2.146 . . . . 0.0 112.261 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.63 -25.87 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.999 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . . . -56.68 143.52 35.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -89.13 -163.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -66.95 73.56 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.914 0.388 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . 0.409 HG22 ' CE2' ' A' ' 87' ' ' PHE . 20.1 t -70.02 152.07 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 159.29 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -59.01 -30.38 67.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.9 -29.04 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -63.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.456 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 10.8 mt -65.49 -20.82 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -80.97 -44.21 18.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.12 -50.19 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -41.33 86.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.037 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -61.06 -32.62 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.2 mt -77.51 -30.21 52.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -29.98 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 tpp -91.57 -23.58 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.6 p -95.66 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.205 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 40.7 m80 52.76 66.97 1.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.927 0.394 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 t30 60.65 30.48 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.76 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.92 83.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.7 p -157.17 -45.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.033 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -133.98 112.29 11.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.16 95.51 10.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 40.1 mt 61.32 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.73 33.32 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -145.64 117.32 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.5 p -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -129.02 160.52 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.52 156.41 30.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -88.34 -47.92 8.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -57.76 -32.95 67.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.2 p -68.24 -31.08 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.46 138.54 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -171.04 135.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.8 124.38 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.47 163.37 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.783 0.325 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -141.55 156.27 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.408 ' HB3' HD12 ' A' ' 84' ' ' LEU . 7.4 m170 -125.92 121.04 32.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -109.27 106.51 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.965 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -51.48 111.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 tp -96.25 127.0 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.533 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -143.75 141.82 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 111.416 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -178.83 121.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.595 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.2 m -75.17 137.37 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 22.0 mt -106.03 119.18 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.41 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 30.2 p -75.62 -24.65 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -92.57 45.36 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.6 89.55 1.51 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.75 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.4 126.84 16.25 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.486 2.124 . . . . 0.0 112.335 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -78.02 91.87 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -110.32 177.0 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.15 -30.5 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -60.78 -30.09 69.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.6 mm -90.15 12.87 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.43 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 20.71 7.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 111.184 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.53 109.02 1.83 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.657 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 50.8 Cg_exo -54.86 -21.56 26.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.426 2.084 . . . . 0.0 112.551 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.9 t -58.39 -28.52 65.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 p -86.54 164.97 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -83.1 -30.51 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -38.74 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.113 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 58.4 t80 -70.26 -46.92 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.63 -31.37 68.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -71.69 -57.62 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.8 m -57.43 -42.42 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.055 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -59.99 -50.77 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.68 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.01 -50.48 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -38.12 81.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.38 -39.78 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.49 85.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 51.0 mt -65.06 -49.54 69.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -31.26 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.45 -29.42 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.38 -40.55 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.1 m-85 -64.52 -44.36 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -28.12 60.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.63 -23.45 15.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 p -54.77 168.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.062 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -64.71 -31.63 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.9 pt -96.95 47.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -82.74 59.31 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.0 t -151.92 -46.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.53 -30.27 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -59.89 114.05 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -80.27 -68.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -177.3 179.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 158.27 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -124.46 96.79 5.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.89 104.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -72.39 -61.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.1 174.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -101.32 137.59 39.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.17 103.5 14.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.812 0.339 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.41 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 43.3 m170 -89.71 167.88 12.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.0 m -155.25 122.28 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.73 134.78 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.603 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 51.3 t -103.24 125.16 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.43 84.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -109.8 172.8 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -134.42 111.81 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.0 m -70.92 75.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.48 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -70.96 155.12 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.477 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 15.6 m-85 -141.73 156.02 45.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 166.29 7.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.36 -40.64 7.87 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.545 2.163 . . . . 0.0 112.209 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.3 -28.74 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.57 100.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.55 30.51 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.76 69.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.8 100.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.83 159.47 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -66.59 -31.13 71.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.66 -27.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 -59.83 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.209 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.5 mt -65.61 -23.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.404 ' CD2' HD13 ' A' ' 104' ' ' LEU . 57.9 t80 -75.61 -43.5 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.36 -45.17 48.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.45 -30.62 71.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.004 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -75.06 -40.0 60.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 HD13 ' CD2' ' A' ' 100' ' ' TYR . 8.8 mt -71.75 -32.84 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.53 -34.02 76.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.1 tpp -85.31 -22.23 28.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 58.2 p -96.61 32.9 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 57.73 57.34 4.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.62 40.31 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.09 76.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.2 p -157.24 -45.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -137.0 115.36 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.246 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -85.81 94.87 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 83.6 mt 62.37 -79.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -133.96 42.4 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -154.89 117.23 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.6 p -81.75 113.73 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 pp -128.02 160.05 33.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.01 173.61 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.028 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -112.2 -49.9 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -38.23 80.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -59.57 -30.42 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.7 t -63.26 139.38 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -165.52 126.3 1.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.69 117.8 49.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.82 165.38 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m 60.47 99.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -114.93 31.24 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.16 -129.92 2.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 p 57.98 106.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -162.68 31.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.58 62.4 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -136.77 153.2 50.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.21 -52.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.82 164.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m 60.81 159.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.15 152.4 48.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 11.6 m170 -121.52 129.82 53.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 85' ' ' CYS . 37.2 m-85 -115.37 133.93 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.94 110.62 14.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.1 tp -96.27 127.38 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.65 179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -143.4 139.59 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 111.474 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 22.3 p90 -178.11 113.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.558 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -69.45 137.29 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.362 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.8 mt -106.11 103.37 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 p -55.53 -25.26 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.76 51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.0 0.429 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -169.94 95.68 0.49 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.13 143.71 60.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.447 2.098 . . . . 0.0 112.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.6 t80 -85.99 87.83 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -93.75 177.27 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.7 -32.76 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -62.27 -45.12 94.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.4 mm -63.52 -17.27 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.316 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.09 -27.47 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -111.56 120.43 42.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.409 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.6 Cg_exo -62.05 -12.86 28.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.493 2.128 . . . . 0.0 112.789 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -93.01 35.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.787 0.327 . . . . 0.0 111.267 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.4 p -125.55 170.15 11.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.843 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -82.27 -46.84 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -27.11 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.409 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 25.3 t80 -79.69 -59.17 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -57.96 -42.66 85.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -59.44 -60.44 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.3 m -59.87 -35.96 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.06 -44.02 95.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -82.92 -31.13 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -59.94 -50.52 73.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.36 -46.03 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.58 -31.87 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -75.54 -38.24 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.773 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.03 -35.71 76.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.4 -32.16 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.39 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.86 -20.23 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.413 HD12 ' CE1' ' A' ' 103' ' ' PHE . 8.9 tt -76.65 -35.44 57.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 23.6 m-85 -66.43 -53.35 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.995 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -55.62 -24.07 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -93.69 -27.66 16.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.9 p -59.02 170.55 0.84 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 t -69.96 -29.7 66.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.2 pt -93.56 46.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -87.66 53.73 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.72 -46.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.787 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -92.8 -31.0 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 10.5 t80 -73.0 119.41 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.74 -73.82 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -160.47 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.15 159.26 23.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -128.1 101.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.02 97.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.55 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.13 -165.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -121.63 146.0 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mmm-85 -116.79 151.81 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.7 t -101.27 99.72 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.32 153.84 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.154 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 m -81.8 -172.41 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.3 t30 69.13 -66.73 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.61 137.17 54.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.784 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -98.83 29.28 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -110.61 27.36 9.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -136.88 -175.34 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.8 m -158.13 122.15 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.12 114.33 3.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.354 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.5 t -78.95 112.61 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.314 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.08 85.32 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.48 178.27 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -138.02 104.78 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.871 -179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 14' ' ' PHE . 21.3 m -66.71 75.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 14.9 m-80 -68.82 149.22 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.405 ' CE1' HD13 ' A' ' 99' ' ' ILE . 7.3 m-85 -129.4 178.55 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.82 166.06 14.71 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.15 -27.87 73.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.506 2.137 . . . . 0.0 112.214 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.33 -31.08 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -61.51 113.67 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.36 -41.61 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -100.04 80.98 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 26.9 t -133.51 122.19 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.024 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.48 168.21 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.1 mtm-85 -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.65 -25.79 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.213 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.04 -62.96 1.31 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.405 HD13 ' CE1' ' A' ' 87' ' ' PHE . 9.8 mt -65.9 -24.32 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.423 ' CE2' HD12 ' A' ' 104' ' ' LEU . 64.6 t80 -70.79 -42.7 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.15 -36.41 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.065 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.53 -29.63 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.413 ' CE1' HD12 ' A' ' 51' ' ' LEU . 81.4 t80 -83.94 -30.01 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.423 HD12 ' CE2' ' A' ' 100' ' ' TYR . 30.5 mt -74.87 -32.34 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -39.07 90.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.158 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.5 tpp -81.92 -26.81 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.4 p -94.59 20.74 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.29 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.8 m170 51.3 67.73 0.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 61.11 31.19 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.85 67.56 2.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.435 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -137.42 -46.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.682 0.277 . . . . 0.0 111.027 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -131.59 103.35 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.173 -179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -87.75 88.09 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 35.5 mt 61.52 -80.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.084 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 13.3 t30 -134.1 33.54 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 115' ' ' ASN . 29.1 m-85 -148.53 98.08 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 22.7 p -66.02 118.51 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -131.89 159.55 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.014 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -72.79 172.78 10.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.205 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.3 ttp85 -109.66 -50.23 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -58.84 -35.1 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 100.0 p -64.89 -35.01 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.813 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 21.3 t -60.21 147.43 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -173.96 136.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -122.26 136.63 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.8 -172.2 3.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.5 p -101.56 125.46 48.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -68.22 -81.0 0.2 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.01 105.99 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.679 2.253 . . . . 0.0 112.23 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.44 27.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.91 82.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.44 -47.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.783 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t -162.29 -47.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.778 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.66 -106.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -83.38 72.55 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.805 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -91.38 -53.8 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.57 -130.68 5.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m 59.9 31.53 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.7 t 59.96 72.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -99.7 31.45 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.5 141.78 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.03 155.71 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.409 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 64.9 m170 -124.51 147.37 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 94' ' ' VAL . 38.5 m-85 -137.7 126.74 24.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -66.53 114.23 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.339 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.4 tp -96.26 129.29 43.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -148.18 144.27 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.037 0.446 . . . . 0.0 111.359 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.409 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.7 p90 -176.61 113.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.464 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -67.89 131.17 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mt -105.04 133.19 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 50.8 p -97.74 30.05 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -123.27 -42.99 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.31 112.38 25.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.46 112.91 3.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -69.2 130.23 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 m -143.38 -173.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.48 -50.05 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -72.61 -19.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.323 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.74 30.22 2.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.03 106.33 1.02 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.76 64.22 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.479 2.119 . . . . 0.0 112.291 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -165.37 31.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 p -134.88 176.29 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 m -83.02 -34.0 26.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -32.74 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -63.61 -59.49 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.96 -28.93 67.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -57.25 -65.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 22.6 m -67.05 -30.64 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.033 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 tttm -58.25 -33.5 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -31.74 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -52.21 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.42 HD12 ' CZ ' ' A' ' 69' ' ' PHE . 44.2 mt -62.97 -45.08 99.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.022 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.31 -29.85 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -75.73 -44.72 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.43 -34.05 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 55.0 mt -71.13 -33.65 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -63.41 -59.73 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.023 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -56.31 -30.21 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.4 tt -63.96 -45.05 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 10.1 m-85 -61.45 -29.9 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -27.22 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -96.79 25.71 5.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -122.92 170.67 9.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -59.66 -32.38 70.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.5 pt -94.38 46.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -94.52 43.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -136.2 -46.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 24.4 m-85 -91.21 -32.23 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 1.8 t80 -60.62 133.93 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.74 -70.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -161.87 -171.49 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 25.9 p -123.17 174.83 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -144.23 100.29 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -71.68 105.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.3 mt -71.43 -58.3 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.99 -177.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.42 ' CZ ' HD12 ' A' ' 44' ' ' ILE . 63.9 m-85 -115.32 131.41 56.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -78.86 157.43 28.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.9 t -92.57 145.02 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.4 m -128.96 81.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 m -65.71 -20.87 66.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -53.53 -56.35 17.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.79 0.329 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -110.2 -24.88 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.9 m120 61.22 20.25 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.067 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -122.0 -35.67 3.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 8.7 m170 -80.18 -179.08 6.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.775 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.1 m -152.47 113.06 4.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.06 117.43 9.13 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 61.9 t -80.68 136.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -128.14 74.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.88 176.13 5.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.98 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -133.51 106.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 57.9 m -65.43 78.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.409 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 20.3 m-80 -75.36 139.36 42.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -120.72 174.06 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.49 165.41 16.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.77 -27.78 68.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.569 2.18 . . . . 0.0 112.282 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.89 -28.25 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.2 156.42 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.185 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.12 128.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.58 71.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 27.7 t -124.15 103.16 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.49 151.52 45.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -31.25 72.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -66.2 -29.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -57.5 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 11.4 mt -61.32 -27.87 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.427 ' CD2' HD11 ' A' ' 104' ' ' LEU . 71.8 t80 -72.0 -49.42 37.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -59.91 -53.04 62.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.09 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.45 -29.41 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -72.67 -46.09 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.427 HD11 ' CD2' ' A' ' 100' ' ' TYR . 3.0 mt -61.27 -45.03 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -54.65 44.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.1 ttp -64.57 -27.9 69.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.321 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 80.4 p -94.63 20.0 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.344 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 52.32 70.2 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.53 34.16 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.46 61.21 7.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.586 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.3 p -127.38 -44.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.091 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -139.18 111.05 7.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 115' ' ' ASN . 2.1 tm? -95.19 96.73 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 53.3 mt 61.84 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 113' ' ' LEU . 13.6 t30 -141.9 38.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -148.03 93.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -60.7 117.23 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.409 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.19 160.46 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -81.05 160.36 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -98.68 -33.09 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.206 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 t -88.67 -31.21 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 26.5 t -59.27 139.27 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.05 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 18.8 t80 -174.01 152.28 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.446 ' N ' ' CD1' ' A' ' 124' ' ' PHE . 9.7 p -145.24 126.57 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.53 177.53 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.794 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.8 103.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.419 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -70.39 -61.29 4.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.651 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.419 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 18.6 Cg_endo -60.19 110.65 0.81 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.61 2.206 . . . . 0.0 112.305 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.3 t -176.31 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -168.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.527 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -107.1 32.22 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 p -75.23 120.31 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.07 -56.36 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.584 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -83.95 89.48 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.1 107.16 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.93 70.58 0.74 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.552 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 m -81.82 -31.35 31.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.89 57.26 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -160.39 145.75 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.76 161.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -144.74 155.24 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.3 m170 -119.61 144.96 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -130.08 102.69 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.89 112.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.381 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.2 tp -97.45 129.08 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.038 0.447 . . . . 0.0 111.305 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.5 p90 -177.03 116.86 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.665 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -76.59 139.44 40.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.283 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.7 mt -105.13 101.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.416 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 6.1 p -58.98 -28.25 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -73.13 -37.16 66.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.92 109.56 28.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.29 174.19 13.23 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.425 2.083 . . . . 0.0 112.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 2.5 t80 -123.65 100.59 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -100.84 179.8 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -30.52 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -59.05 -44.12 91.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 35.5 mm -63.0 -17.96 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.396 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.43 -19.67 38.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.417 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -124.04 110.38 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.999 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.3 Cg_exo -54.16 -24.6 34.13 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.478 2.119 . . . . 0.0 112.348 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -56.09 -30.74 62.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 51.0 p -76.89 165.32 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.5 m -82.98 -31.37 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.55 -30.03 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.421 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 64.6 t80 -75.26 -48.56 22.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -68.8 -41.19 79.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.83 -60.54 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.4 m -60.66 -46.25 91.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -57.67 -37.29 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -82.2 -29.64 31.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -53.57 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.002 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.403 HG21 HD13 ' A' ' 44' ' ' ILE . 45.2 mt -61.32 -43.74 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -60.64 -30.39 69.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.15 -45.28 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -59.1 -40.23 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 30.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.78 -45.61 93.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -52.56 57.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -49.74 -34.56 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 64' ' ' CYS . 21.4 m-85 -62.86 -61.71 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -26.66 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.01 -29.7 39.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -60.78 165.99 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 t -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.5 pt -93.62 45.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -86.18 55.5 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -153.13 -47.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -86.09 -30.52 22.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.795 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.9 t80 -61.49 119.76 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -84.48 -63.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.09 -179.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.425 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -118.07 164.55 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.4 108.04 6.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.3 p -75.91 98.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 34.1 mt -58.83 -57.72 11.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.17 177.2 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -106.9 147.01 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -98.22 130.92 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.416 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -85.41 128.92 34.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.2 m -107.68 138.92 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -110.96 -25.08 10.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -69.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.45 ' CB ' ' CE1' ' A' ' 78' ' ' HIS . 7.0 t-20 -88.8 -29.24 19.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.93 27.69 16.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -142.91 18.25 1.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.45 ' CE1' ' CB ' ' A' ' 75' ' ' ASN . 5.5 m170 -122.55 -175.74 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.774 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.5 m -163.99 117.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 140.34 37.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.302 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.7 t -112.25 87.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.395 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -84.66 85.16 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.452 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.73 -176.47 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -140.63 101.46 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 11.9 m -67.87 75.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.406 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.9 m-20 -69.83 155.59 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.168 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CE1' HD12 ' A' ' 99' ' ' ILE . 12.0 m-85 -139.72 153.26 47.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.65 167.0 40.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.11 -26.9 36.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.74 -29.65 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.46 166.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -170.33 126.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.52 44.84 6.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -85.2 89.96 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.8 148.69 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -59.29 -32.62 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 18.7 t -59.78 -27.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.21 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -62.05 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.428 HD12 ' CE1' ' A' ' 87' ' ' PHE . 8.4 mt -67.93 -24.95 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.428 ' CD2' HD11 ' A' ' 104' ' ' LEU . 46.6 t80 -74.73 -42.7 57.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.29 -53.78 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.79 -29.97 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.428 HD11 ' CD2' ' A' ' 100' ' ' TYR . 11.8 mt -60.69 -52.64 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.33 74.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.301 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.3 tpp -72.1 -28.91 63.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 49.2 p -92.4 14.76 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.45 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.6 m80 56.08 79.28 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.239 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 m120 57.9 28.83 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.324 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 56.85 40.96 90.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.641 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 p -120.02 -33.03 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.613 0.244 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.28 115.49 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -99.54 96.56 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.619 179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 26.8 mt 62.13 -80.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.02 29.96 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -142.32 107.7 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p -71.2 113.79 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -124.91 159.31 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.972 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.61 157.41 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.037 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -51.64 4.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.789 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.6 t -67.18 -31.18 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.6 t -63.72 123.23 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.025 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.91 127.92 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.2 p -121.3 109.72 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -115.11 156.29 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m -66.12 96.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.04 -178.59 1.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.519 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.77 159.87 27.88 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.705 2.27 . . . . 0.0 112.434 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 m 59.37 98.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.8 t -131.3 -46.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.534 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -99.46 122.24 42.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -74.96 96.13 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.2 106.53 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -134.77 -46.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 p -56.87 115.81 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.33 27.34 4.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.404 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m -75.35 124.51 27.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m 60.39 -177.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -143.9 31.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p -111.63 174.98 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.84 139.21 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -126.02 132.1 52.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' A' ' 99' ' ' ILE . 51.1 m-85 -125.03 113.15 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.799 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -56.61 115.62 2.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.9 tp -100.67 120.89 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.715 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -136.36 139.71 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.313 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.4 p90 -178.23 115.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.9 m -72.88 137.3 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.6 mt -102.5 101.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.4 p -55.37 -27.86 50.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -92.95 49.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.78 87.89 1.53 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.982 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.46 151.02 25.06 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.615 2.21 . . . . 0.0 112.26 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 35.4 t80 -108.47 114.66 28.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -126.01 176.26 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.71 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.12 -48.26 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.09 -14.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.368 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.03 -23.43 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -110.81 108.18 57.87 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.432 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 15.3 Cg_exo -67.75 61.91 0.88 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.668 2.245 . . . . 0.0 112.216 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 t -143.89 -41.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.3 p -65.91 178.03 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -31.04 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -60.01 -37.37 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.8 t80 -72.82 -38.67 67.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.43 -30.35 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -55.91 8.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 m -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.2 tttt -57.79 -36.47 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -37.03 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -53.66 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.32 -43.98 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -32.06 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.767 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.56 -40.63 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.3 -33.17 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.006 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 46.1 mt -74.55 -31.83 62.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -58.24 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.98 -31.05 70.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.69 -41.18 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 11.5 m-85 -70.36 -33.23 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -95.49 -25.66 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.7 p -55.44 169.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -30.07 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 13.0 pt -99.72 48.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 57.1 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 p -144.9 -47.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -106.82 24.37 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -110.33 106.06 15.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.842 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.9 t -67.45 -69.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.52 -171.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.72 139.84 47.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -112.73 91.98 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.794 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 p -61.54 109.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.8 -61.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.87 174.21 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.89 150.8 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -118.2 161.68 19.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.412 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . 21.5 t -114.97 101.64 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 m -59.74 -30.43 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.18 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t 60.03 36.94 21.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.33 -73.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -114.16 14.99 18.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.8 m120 53.43 29.41 8.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -141.86 24.55 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -135.79 164.56 27.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 45.4 m -146.85 129.41 15.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.42 116.58 4.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 37.4 t -83.86 127.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 111.161 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -115.88 79.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.435 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 p -103.64 172.52 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -128.47 108.41 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.813 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 2.3 m -66.18 79.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.763 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -73.23 145.51 46.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.012 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.49 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 11.1 m-85 -133.78 158.45 43.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.91 146.39 87.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -61.82 -25.86 78.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.559 2.173 . . . . 0.0 112.308 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.34 -25.98 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.49 161.15 19.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.188 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -164.47 31.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 30.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.13 137.33 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.03 163.68 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.82 -34.02 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.38 -40.12 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.82 80.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.456 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 13.8 mt -71.08 -29.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.429 ' CE2' HD13 ' A' ' 104' ' ' LEU . 81.0 t80 -76.17 -44.11 39.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.44 -53.95 47.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.037 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -71.27 -34.13 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.429 HD13 ' CE2' ' A' ' 100' ' ' TYR . 24.2 mt -64.25 -45.88 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -54.56 -59.78 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.404 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpp -59.12 -27.88 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.267 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.5 p -93.44 16.23 13.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.321 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.1 m80 53.78 67.05 1.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.5 t30 63.56 35.61 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.79 58.04 16.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.9 p -142.09 -43.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.273 . . . . 0.0 111.33 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -127.02 100.58 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.406 ' CD1' ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -82.96 95.2 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.96 -82.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -133.92 26.17 3.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.56 103.48 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.5 p -71.32 113.42 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -124.53 159.98 29.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -59.78 171.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -111.22 -53.18 2.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -58.71 -34.25 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 p -65.94 -31.25 72.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.9 t -62.19 133.78 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -168.7 158.15 8.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.7 p -152.04 130.08 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.48 170.58 11.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.8 t -75.81 95.34 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -73.63 164.46 54.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -57.89 166.56 5.19 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.683 2.255 . . . . 0.0 112.221 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.5 t -166.95 -45.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.01 -48.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.529 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -112.6 140.01 47.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.38 -78.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 87.99 1.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.87 -39.99 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.758 0.313 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -60.5 -173.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.57 43.56 0.24 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.586 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.6 t -165.66 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.365 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -123.09 -177.02 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.24 80.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p -97.42 176.37 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.8 136.38 11.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -128.24 109.53 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.18 116.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.45 120.14 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.6 tp -98.61 127.61 44.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -141.69 137.13 31.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 0.0 111.601 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -177.69 113.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.512 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 93.4 m -71.93 140.54 49.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.407 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 29.4 mt -106.96 140.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -102.15 38.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -151.63 36.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -152.61 100.54 2.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.76 140.58 47.01 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.35 2.033 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.75 109.37 22.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.92 -169.6 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.27 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -59.88 -44.72 94.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.2 mm -66.54 -13.94 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.41 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.26 -22.09 22.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.01 107.84 47.28 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.434 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 51.2 Cg_exo -52.94 -26.62 32.19 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.473 2.115 . . . . 0.0 112.41 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -58.38 -30.03 66.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.3 p -73.17 165.9 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 64.5 m -83.05 -34.33 26.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.09 -32.87 56.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 59.7 t80 -74.28 -55.87 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -53.64 -59.85 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.345 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.2 m -66.59 -41.28 88.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.419 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 16.3 tttt -57.77 -39.19 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.237 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -29.65 27.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.148 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.038 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.409 HD13 ' CE1' ' A' ' 69' ' ' PHE . 46.1 mt -64.05 -47.24 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -46.44 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.24 -41.66 93.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.715 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.79 -41.29 95.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 81.6 mt -70.61 -29.35 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -59.59 4.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -61.19 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 tt -58.83 -50.32 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 61' ' ' PHE . 8.8 m-85 -64.24 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -72.56 -28.85 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -113.6 31.05 6.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.1 p -108.08 165.25 11.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -59.16 -32.2 69.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.8 pt -107.33 52.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.16 28.17 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -116.3 -31.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.428 ' CG ' ' HA ' ' A' ' 91' ' ' ALA . 44.1 m-85 -109.04 -30.06 8.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.057 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 t80 -59.06 127.55 32.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -64.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -173.78 -169.33 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 28.2 p -122.9 146.35 47.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -124.06 103.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.71 105.06 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.63 -55.81 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.79 179.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.409 ' CE1' HD13 ' A' ' 44' ' ' ILE . 66.0 m-85 -113.4 127.5 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -97.17 160.12 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 t -106.82 116.17 31.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.6 m -58.87 -31.11 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.5 m 59.79 29.95 19.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -100.07 -50.65 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -133.04 10.64 4.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.347 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.8 m120 54.97 38.53 30.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -137.61 -51.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -69.96 161.96 28.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.2 m -142.8 143.52 32.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.89 130.9 10.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.407 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 33.9 t -97.03 97.17 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.7 81.08 5.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.698 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.79 -178.39 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -137.81 112.42 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 63.6 m -70.05 78.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.435 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -66.47 141.19 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.442 ' CE1' ' CD1' ' A' ' 99' ' ' ILE . 5.9 m-85 -128.82 158.76 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.679 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.1 164.47 36.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.02 -32.23 76.07 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.535 2.157 . . . . 0.0 112.165 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.35 -21.74 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.428 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . . . -49.34 128.77 17.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.462 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -138.7 134.49 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.34 75.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 t -130.92 151.97 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.7 158.43 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.95 -30.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.66 -62.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.442 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 11.7 mt -62.28 -23.64 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -72.99 -44.71 60.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.14 -45.84 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -29.58 66.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -76.93 -46.56 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.007 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 19.1 mt -63.91 -36.3 83.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -66.01 -28.15 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.205 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 tpp -93.98 -26.1 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.225 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.2 p -96.57 25.58 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.302 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 53.23 66.39 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 111.183 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 t30 61.25 34.63 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.1 44.32 93.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.621 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 p -115.24 -30.01 6.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -145.59 127.73 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.085 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.412 ' CD1' ' O ' ' A' ' 113' ' ' LEU . 3.2 tm? -104.71 89.08 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.364 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 25.4 mt 61.86 -79.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.81 30.63 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -138.95 99.41 3.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -65.01 117.37 7.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -134.84 159.17 42.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.999 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.45 163.59 27.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -97.0 -45.46 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.765 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.48 -35.85 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.2 p -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.3 t -59.98 144.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 11.4 t80 -174.03 142.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.406 ' N ' ' CD1' ' A' ' 124' ' ' PHE . 12.8 p -141.77 134.8 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.04 -169.26 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.24 92.68 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.79 -120.43 12.58 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.57 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.36 164.44 32.53 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.452 2.101 . . . . 0.0 112.385 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.94 142.44 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.08 119.11 38.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.556 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.6 p -158.66 78.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.37 -51.89 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.15 -172.43 17.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m 69.16 -66.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.348 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t -58.56 -66.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.63 -132.35 10.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.04 -176.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.8 178.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.2 m 60.68 168.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p 59.22 161.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.88 156.57 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 15.5 m-70 -128.44 130.56 47.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CG ' HD12 ' A' ' 99' ' ' ILE . 53.0 m-85 -122.16 109.7 14.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -54.65 110.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.059 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 tp -95.2 130.48 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -151.15 144.7 24.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.961 0.41 . . . . 0.0 111.3 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.6 p90 -178.37 120.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.73 131.25 44.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.402 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 30.6 mt -101.84 103.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.047 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -60.54 -29.99 69.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -88.79 53.58 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.63 100.07 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 142.91 46.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.487 2.125 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -96.16 93.34 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -97.15 -175.37 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -70.43 -31.22 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -61.64 -45.86 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 44.4 mm -58.3 -23.43 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.47 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.205 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.02 115.84 56.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.426 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 32.3 Cg_exo -58.3 -18.42 37.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.577 2.184 . . . . 0.0 112.623 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -95.35 36.97 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.7 p -116.78 171.24 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -79.65 -48.46 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -29.49 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 34.4 t80 -79.5 -55.36 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.43 -32.56 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -69.08 -56.98 6.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.4 m -63.55 -36.97 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -62.6 -41.49 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.14 68.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -45.12 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.5 mt -69.25 -49.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.12 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -79.17 -42.16 26.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.09 92.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 91.6 mt -70.88 -30.59 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -65.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -60.0 -28.83 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.96 -43.2 91.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 13.2 m-85 -69.47 -45.76 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -59.63 -26.69 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -112.24 34.11 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p -109.03 -176.53 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -78.22 -29.89 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 27.3 pt -109.34 53.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -93.22 30.96 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.49 -35.41 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.408 ' CE1' ' HA ' ' A' ' 91' ' ' ALA . 30.4 m-85 -106.52 -24.82 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.7 t80 -57.2 144.36 35.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -109.01 -71.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -171.25 175.41 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.31 170.71 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -149.2 82.21 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.7 p -63.44 97.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.9 165.14 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -85.75 169.19 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -135.53 123.27 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p -59.0 175.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.23 151.56 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.5 p -113.39 -35.52 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.04 -48.82 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -137.28 105.15 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -63.66 82.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -177.45 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -58.33 158.79 6.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.9 m -133.31 131.03 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.16 128.08 8.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 45.9 t -94.12 137.39 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.1 79.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 p -106.08 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.086 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -131.44 122.38 26.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.6 m -82.63 76.8 9.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.625 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 55.9 m-20 -71.91 148.44 46.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.011 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 10.9 m-85 -133.73 165.65 24.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.87 151.22 86.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.65 -22.47 50.5 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.563 2.175 . . . . 0.0 112.42 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.42 -34.61 69.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.408 ' HA ' ' CE1' ' A' ' 60' ' ' TYR . . . -64.81 159.01 23.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.25 31.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.54 37.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -89.6 143.3 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.23 152.28 40.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -59.89 -31.92 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.3 t -71.1 -32.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.06 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.48 HD11 HG23 ' A' ' 99' ' ' ILE . 13.1 mt -75.4 -30.3 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.432 ' CE2' HD12 ' A' ' 104' ' ' LEU . 55.5 t80 -74.16 -39.14 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -72.37 -48.0 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -58.36 -31.45 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.09 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.433 ' CZ ' ' CG2' ' A' ' 107' ' ' THR . 64.4 t80 -77.09 -29.62 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.432 HD12 ' CE2' ' A' ' 100' ' ' TYR . 57.1 mt -72.36 -26.47 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -32.03 65.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.38 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.0 tpp -94.04 -24.2 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.517 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.433 ' CG2' ' CZ ' ' A' ' 103' ' ' PHE . 71.0 p -93.76 19.09 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.433 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.0 m80 52.96 68.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.9 0.381 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 61.2 28.45 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.989 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.83 40.59 95.63 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.589 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -118.84 -33.43 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.659 0.266 . . . . 0.0 111.272 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -140.76 117.06 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.185 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.409 ' CD1' ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -90.87 86.43 6.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.613 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.0 mt 60.98 -80.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 113' ' ' LEU . 10.4 t30 -129.21 30.49 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.56 94.49 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.7 p -64.98 114.7 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -131.94 159.86 37.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.9 167.42 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.008 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -104.62 -41.91 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.783 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -25.66 67.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 p -74.92 -34.56 62.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 22.5 t -59.57 139.07 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -167.6 132.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.34 131.07 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.08 178.46 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.78 78.4 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.62 173.59 5.59 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.544 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.26 -46.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.871 2.381 . . . . 0.0 112.438 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.9 p -177.11 157.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.8 t -132.57 133.78 44.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -138.55 178.49 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.326 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -77.31 107.82 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 137.77 22.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.547 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -72.44 -38.76 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -97.32 39.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.47 -172.76 13.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -40.06 45.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.831 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t 60.85 37.86 18.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 m -137.22 31.26 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.34 172.11 10.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -142.71 161.66 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -128.79 117.53 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -108.82 108.29 19.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t30 -54.27 110.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.309 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.1 tp -96.12 125.3 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.405 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -141.45 132.46 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 111.64 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 23.9 p90 -168.96 112.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 m -70.34 137.18 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.571 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CD1' HG22 ' A' ' 81' ' ' VAL . 17.5 mt -110.8 111.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.876 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 p -70.7 -25.21 62.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -70.08 -18.34 63.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.98 99.37 9.06 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 111.012 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.28 123.94 9.56 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.571 2.181 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.29 93.89 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.25 -175.4 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.85 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.82 -39.29 93.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.764 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.5 mm -67.31 -14.36 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.384 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.25 30.47 2.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -169.46 98.69 0.49 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.805 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.43 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 74.1 Cg_exo -49.32 -25.76 10.5 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.53 2.153 . . . . 0.0 112.502 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -57.41 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -79.62 166.72 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -83.08 -29.25 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -57.67 -32.39 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.43 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 51.0 t80 -76.91 -41.8 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.57 -35.48 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -69.93 -49.74 48.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.5 m -67.53 -31.1 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -73.13 -33.38 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.51 -37.87 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.8 t -59.78 -52.31 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.59 -46.66 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.23 -31.22 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -72.47 -35.16 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -71.65 -37.78 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 mt -67.7 -37.04 81.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.75 -58.54 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.73 -31.33 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.17 -42.56 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 6.4 m-85 -68.57 -39.34 81.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -25.63 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -90.51 -28.05 18.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 p -63.09 173.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 t -75.12 -24.19 58.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.7 pt -94.24 47.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -89.91 22.98 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.42 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.65 -30.45 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.284 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 32.8 m-85 -104.78 -32.2 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.29 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.8 t80 -56.35 140.93 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.028 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.6 t -106.84 -71.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 173.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.5 132.63 55.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.84 103.55 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.5 p -71.43 104.2 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.84 -66.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.18 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.36 114.39 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.08 144.44 42.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 t -93.2 177.18 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 6.4 m -149.11 145.06 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.094 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.6 t -83.21 174.42 10.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.06 -77.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.767 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -103.74 120.41 40.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.11 37.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.14 -24.46 12.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -84.39 170.94 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.4 m -158.73 114.67 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.08 114.03 4.37 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG22 ' CD1' ' A' ' 20' ' ' ILE . 27.5 t -84.59 97.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.84 86.09 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.59 -175.89 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -138.06 111.83 8.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 3.9 m -70.18 70.71 0.39 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.33 179.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -70.73 151.24 45.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.249 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.418 ' CE1' HD13 ' A' ' 99' ' ' ILE . 9.3 m-85 -125.53 179.09 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.13 165.74 13.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.784 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.67 -28.2 80.6 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.507 2.138 . . . . 0.0 112.139 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.85 -28.53 64.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.412 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . . . -58.85 154.29 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.02 151.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.4 29.69 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 32.7 t -84.1 125.35 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.32 171.85 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -74.51 -46.32 40.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 19.5 t -58.91 -27.44 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.314 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -62.67 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.318 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 87' ' ' PHE . 8.7 mt -69.3 -24.63 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE1' HG11 ' A' ' 123' ' ' VAL . 51.8 t80 -74.07 -40.82 62.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -71.55 -52.47 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.136 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -28.93 60.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.64 -46.08 33.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.418 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.2 mt -57.57 -50.43 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -54.84 -53.2 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 tpp -64.2 -26.92 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.047 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 51.4 p -96.35 23.1 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.7 t60 54.11 69.85 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.7 m120 59.73 35.16 22.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.61 55.67 29.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.0 p -133.58 -45.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -132.11 114.87 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.8 tm? -90.46 96.05 10.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.1 mt 62.19 -79.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 2.2 m-80 -138.85 31.87 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.0 103.87 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -68.56 118.62 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.0 pp -129.29 159.76 35.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.26 163.31 18.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.064 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.66 -38.73 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.787 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -69.73 -18.58 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -83.41 -32.63 26.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.421 HG11 ' CE1' ' A' ' 100' ' ' TYR . 26.0 t -59.14 136.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -174.1 127.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.4 p -114.64 111.61 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -114.4 163.18 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 105.7 2.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.2 165.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.41 135.76 71.9 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.608 2.205 . . . . 0.0 112.192 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.6 p -162.91 162.86 26.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.2 p -158.89 31.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.558 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -90.95 -74.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.21 91.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.61 -153.69 15.71 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -159.17 36.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.84 88.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.0 -119.6 1.05 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -131.52 134.97 46.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -152.25 -168.51 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.43 105.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t -135.36 -169.58 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.93 157.9 41.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.2 m-70 -142.38 158.61 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -145.8 118.92 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 118.17 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.425 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.0 tp -97.55 121.94 40.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -139.65 138.03 35.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.993 0.425 . . . . 0.0 111.361 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -177.83 113.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.62 179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.2 m -69.2 135.43 50.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.191 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 27.9 mt -104.09 98.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.418 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 11.0 p -53.77 -26.54 24.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.11 49.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.975 0.417 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -163.82 91.04 1.11 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.728 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.18 147.58 88.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.529 2.153 . . . . 0.0 112.384 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -87.57 130.73 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.63 161.92 34.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.23 68.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -44.35 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.8 mm -66.8 -16.79 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.432 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.26 -19.88 42.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.411 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.14 107.17 58.64 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 14.7 Cg_exo -67.7 64.46 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.659 2.239 . . . . 0.0 112.131 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -162.34 -37.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.4 p -55.66 -177.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 4.5 m -82.95 -43.36 16.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.1 tptm -56.62 -38.92 72.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 22.8 t80 -66.53 -58.7 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -60.52 -34.12 73.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -73.31 -57.34 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -62.08 -31.63 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.406 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 42.2 tttt -70.33 -55.63 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -31.31 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -59.7 -48.1 82.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.38 -41.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -31.54 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -67.87 -43.92 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.32 -30.46 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 78.9 mt -72.12 -41.22 67.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.13 -35.19 74.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -78.2 -29.72 48.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.411 HD11 ' CD1' ' A' ' 103' ' ' PHE . 7.0 tt -66.31 -36.95 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.5 m-85 -70.47 -45.7 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -26.79 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -96.41 -27.33 14.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.7 p -57.43 155.77 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 0.0 111.018 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -28.42 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.9 pt -93.6 46.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -88.11 52.66 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -142.88 -47.43 0.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -94.94 -30.55 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.5 t80 -64.91 123.5 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.35 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.79 179.82 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.85 175.83 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -144.85 99.11 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p -70.47 96.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.61 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.09 -168.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -125.12 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -94.89 154.26 17.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -97.65 167.62 10.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.1 m -141.51 138.1 32.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -110.45 34.11 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -104.98 -61.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -109.63 -20.02 12.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m120 64.89 30.0 12.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -147.62 26.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 13.4 m170 -126.46 -173.79 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.5 m -163.62 121.25 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.8 111.09 3.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.413 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.5 t -73.62 130.38 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 111.21 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.23 76.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.605 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -101.35 -177.88 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.081 -179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -140.19 112.33 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 67.8 m -69.47 81.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.723 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -74.66 142.9 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.419 ' CE1' HD12 ' A' ' 99' ' ' ILE . 7.7 m-85 -126.96 160.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 166.53 38.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -27.17 42.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.149 . . . . 0.0 112.412 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.0 -31.19 71.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.09 161.18 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.64 -42.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.59 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.34 153.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.19 156.71 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -59.7 -44.26 93.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.17 -29.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 -58.92 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.419 HD12 ' CE1' ' A' ' 87' ' ' PHE . 10.6 mt -63.5 -28.37 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.446 ' CE2' ' CD1' ' A' ' 104' ' ' LEU . 73.9 t80 -71.26 -45.69 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.22 -50.57 53.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.46 -29.62 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.411 ' CD1' HD11 ' A' ' 51' ' ' LEU . 81.3 t80 -83.29 -32.43 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.446 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 14.2 mt -69.34 -46.11 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.47 -34.94 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpp -83.01 -24.74 32.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 77.9 p -95.12 29.24 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.175 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 53.26 61.08 3.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 61.64 26.95 16.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.09 37.57 49.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.1 p -116.98 -34.67 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.07 125.37 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -97.79 98.98 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.4 mt 61.58 -80.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.958 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -135.46 43.46 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -154.31 105.79 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.0 p -71.01 113.28 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 pp -123.01 160.24 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -58.65 175.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.071 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -109.67 -64.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -56.41 -24.7 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.6 t -66.1 -40.96 91.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 30.6 t -60.92 135.88 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -174.0 136.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.2 p -128.5 137.81 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -179.04 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.7 p -73.23 103.39 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -81.92 164.3 44.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.79 -160.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.634 2.223 . . . . 0.0 112.31 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.8 t -155.9 -73.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.8 t -90.85 -53.37 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -70.38 178.93 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.15 97.01 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.97 -28.44 72.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.578 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -53.86 52.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 111.007 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -79.22 -35.71 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.13 -49.54 2.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.39 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 m -130.1 145.35 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.9 30.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 p -116.46 175.35 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.39 142.43 34.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 10.4 m170 -121.12 111.28 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CD1' ' HA ' ' A' ' 127' ' ' SER . 35.2 m-85 -104.95 126.76 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -68.61 111.36 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 27.8 tp -91.27 135.86 33.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.684 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -154.11 128.32 9.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.916 0.388 . . . . 0.0 111.339 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.3 p90 -165.97 113.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.36 134.53 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.182 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.404 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 16.1 mt -105.97 102.74 14.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -57.93 -30.04 65.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -71.18 -50.16 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.12 112.45 15.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.2 -178.97 4.8 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.278 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 1.5 t80 -137.36 115.1 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -121.68 -175.78 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -60.63 -31.94 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.6 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.45 -16.33 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.53 -24.7 25.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.646 0.26 . . . . 0.0 111.325 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -113.8 115.66 46.01 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 39.7 Cg_exo -60.54 -19.16 58.32 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 112.643 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -67.3 -32.06 72.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.357 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 49.8 p -69.56 167.17 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.04 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.09 -33.75 26.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -30.24 62.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 36.1 t80 -76.34 -56.52 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -60.2 -31.27 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.37 -60.65 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.5 m -59.54 -30.4 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 59.9 tttt -69.9 -40.98 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -81.32 -29.92 34.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -50.32 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.85 -42.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -30.88 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.17 -42.13 60.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.27 -49.89 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 84.6 mt -60.04 -29.98 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.008 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.4 -61.49 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.82 -29.92 65.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.76 -37.92 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 7.9 m-85 -67.85 -39.73 83.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.99 -12.26 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -104.31 -29.71 10.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.79 0.329 . . . . 0.0 111.003 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -59.0 153.54 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.1 t -58.65 -26.72 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.31 47.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 26.97 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -122.16 24.09 9.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 110.766 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.413 ' CG ' ' O ' ' A' ' 59' ' ' SER . 33.5 m-85 -162.28 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -52.77 114.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.059 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.61 -64.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.54 -176.01 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 45.2 t -124.33 156.49 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -128.09 105.12 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.7 p -74.61 112.11 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 mt -71.4 -67.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -163.98 -173.91 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.15 125.74 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 112.6 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.422 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 14.8 t -71.18 115.04 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 8.2 m -65.76 -20.35 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.334 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 p 64.52 -169.05 0.2 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 63.29 -79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -106.77 121.1 43.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -78.54 90.49 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -166.0 -43.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -86.27 166.13 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 91.4 m -163.97 115.37 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.2 110.01 2.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.324 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.404 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 46.9 t -86.49 102.78 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 111.328 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -87.21 87.83 7.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.366 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.78 -174.97 2.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.259 -179.462 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -141.24 108.08 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.0 m -70.32 91.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 48.3 m-20 -89.13 144.6 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 111.376 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 14.9 m-85 -129.56 172.13 11.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.51 166.55 35.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 -28.16 18.73 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.534 2.156 . . . . 0.0 112.271 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.23 -31.21 68.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.411 ' HB2' ' CG ' ' A' ' 60' ' ' TYR . . . -78.85 136.98 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.87 32.23 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.86 44.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 22.0 t -108.63 103.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.25 158.34 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 12.8 ptt85 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -68.54 -29.82 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.6 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.418 HD12 ' CE1' ' A' ' 87' ' ' PHE . 9.9 mt -65.99 -25.87 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.428 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 48.6 t80 -72.79 -43.76 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -74.23 -35.18 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -53.08 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -58.76 -28.45 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.428 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 68.7 mt -85.66 -22.23 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.276 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -30.75 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.194 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.3 ttp -89.52 -20.1 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.38 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 67.7 p -95.64 31.42 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.301 . . . . 0.0 111.167 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.79 53.78 10.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.62 38.32 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.09 38.06 94.9 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.412 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -109.02 -42.4 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.702 0.287 . . . . 0.0 111.105 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -147.14 118.55 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.323 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.8 tm? -91.35 99.34 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.442 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 83.4 mt 62.28 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.99 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' A' ' 113' ' ' LEU . 47.5 m-80 -138.91 38.83 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -150.17 119.26 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 75.1 p -80.05 119.23 22.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.8 pp -135.51 160.09 39.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.7 144.26 41.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 -179.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.4 ' HA ' HG21 ' A' ' 123' ' ' VAL . 4.3 ttt180 -88.94 -41.85 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -32.18 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.6 p -71.48 -26.73 62.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . 0.4 HG21 ' HA ' ' A' ' 120' ' ' ARG . 19.2 t -59.17 150.54 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.089 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -174.12 141.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.7 p -138.72 122.58 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.236 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.44 162.55 14.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.411 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.2 t -83.91 116.58 22.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -62.16 -63.06 5.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.01 103.61 0.91 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.659 2.239 . . . . 0.0 112.244 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.5 p -171.75 82.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 81.1 p -149.92 103.93 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -110.76 37.96 2.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 p -91.25 93.76 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.44 72.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.6 t -113.23 173.19 6.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.17 102.54 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.92 115.05 1.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.36 -179.43 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 t 60.64 168.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.57 118.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m 61.04 160.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.65 157.44 44.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.477 ' HB3' HD12 ' A' ' 84' ' ' LEU . 23.4 m-70 -137.94 112.54 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.761 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.42 ' CE2' HG12 ' A' ' 94' ' ' VAL . 27.9 m-85 -106.34 117.36 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -59.0 108.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.577 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 17.3 tp -87.62 129.9 34.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -148.4 141.05 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.0 111.52 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.5 p90 -178.81 113.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 179.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -69.93 131.11 43.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 mt -94.07 101.69 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.413 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 70.7 p -55.35 -27.78 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.34 58.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -162.29 89.35 1.39 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.92 157.57 10.29 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.476 2.117 . . . . 0.0 112.307 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -116.01 82.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 p -92.64 174.56 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -60.0 -28.95 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -58.21 -50.07 74.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.06 -29.12 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -24.43 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -130.12 117.58 18.1 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 48.6 Cg_exo -55.64 -21.8 33.16 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.416 2.078 . . . . 0.0 112.433 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 t -51.84 -29.54 19.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.3 p -82.19 165.26 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -81.52 -29.18 33.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -56.74 -28.25 60.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 63.5 t80 -84.71 -46.25 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.13 -30.88 71.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -55.5 7.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 26.0 m -59.08 -38.63 79.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.82 -51.26 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.46 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.3 t -59.55 -48.5 81.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.5 mt -70.6 -51.7 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.297 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.25 -32.56 66.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.22 -38.55 56.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.74 -36.09 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 63.3 mt -72.55 -31.07 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -59.05 -61.88 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -58.53 -30.15 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 103' ' ' PHE . 6.7 tt -65.55 -30.88 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 m-85 -72.61 -39.3 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -73.32 -19.14 61.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -107.23 34.66 3.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.82 169.16 15.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 pt -98.57 49.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -93.52 38.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 t -135.9 -46.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -85.53 -31.01 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -64.68 123.61 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 t -88.81 -63.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.45 -177.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.46 156.28 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -135.67 93.17 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p -65.69 103.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.49 -66.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.97 -174.26 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -112.32 116.51 30.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -77.75 144.49 37.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.75 137.01 47.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.6 m -100.46 143.25 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -82.31 -29.71 30.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -67.53 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -120.02 144.17 47.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.79 31.03 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -126.92 18.8 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 67.1 m170 -122.4 -178.12 3.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.0 m -162.25 103.88 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.71 98.18 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.49 132.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.394 . . . . 0.0 111.051 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.41 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.433 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.48 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.03 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -134.48 114.01 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.849 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.422 ' N ' HD13 ' A' ' 84' ' ' LEU . 7.8 m -65.27 81.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.393 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 17.5 m-20 -70.83 128.14 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.428 ' CE1' ' CD1' ' A' ' 99' ' ' ILE . 5.8 m-85 -116.77 150.26 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.21 165.67 45.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.29 -33.71 89.09 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.466 2.111 . . . . 0.0 112.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.7 -27.24 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.31 158.41 5.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -176.66 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 55.64 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.42 HG12 ' CE2' ' A' ' 14' ' ' PHE . 5.3 t -139.11 135.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.41 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 m-20 -119.41 -62.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.015 0.436 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 179.93 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.82 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.7 t -61.4 -26.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -62.99 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.428 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 11.0 mt -64.71 -23.9 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.413 ' CE2' HD11 ' A' ' 104' ' ' LEU . 50.3 t80 -76.92 -45.32 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.49 -44.96 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.44 -37.51 75.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.426 ' CZ ' HG23 ' A' ' 107' ' ' THR . 75.5 t80 -73.53 -46.13 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.413 HD11 ' CE2' ' A' ' 100' ' ' TYR . 9.9 mt -60.01 -34.36 73.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -71.18 -29.7 65.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.6 tpp -91.18 -25.53 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.261 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.426 HG23 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 p -95.25 20.79 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.255 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.79 77.86 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.13 27.01 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.12 50.11 71.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.4 p -125.16 -38.84 2.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.157 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -129.62 104.27 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.2 tm? -82.51 94.61 7.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 24.5 mt 62.01 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 6.9 m120 -120.29 -38.51 2.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 -76.74 127.28 32.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 81.9 p -90.98 118.32 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.734 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -128.1 160.44 31.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.183 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -64.79 178.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -41.98 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.3 70.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.9 t -75.87 -30.95 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 28.3 t -64.34 132.28 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 125' ' ' VAL . 49.0 t80 -174.02 163.3 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.432 ' N ' ' CD2' ' A' ' 124' ' ' PHE . 12.2 p -150.25 129.5 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -119.37 178.51 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.4 m -82.95 116.12 22.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.04 -62.75 5.87 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.612 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.16 -71.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.628 2.219 . . . . 0.0 112.333 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.7 -62.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.2 t 61.63 78.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.02 85.63 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.38 138.79 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.9 -112.92 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -123.48 114.75 20.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 t 67.81 -69.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.18 -65.99 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.5 m -62.44 -44.31 96.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.77 136.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.8 m -131.88 158.19 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.8 p -79.1 -170.1 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -152.11 135.66 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.019 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 27.8 m170 -126.61 114.39 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 43.9 m-85 -110.35 122.16 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -63.12 122.57 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 22.9 tp -106.13 113.38 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -135.9 144.6 45.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.017 0.437 . . . . 0.0 111.346 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -178.38 121.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.52 179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.6 m -74.24 135.77 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.2 mt -101.84 142.44 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -108.05 23.03 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -119.47 -30.65 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.038 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.15 105.75 15.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.17 114.01 3.86 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.412 2.075 . . . . 0.0 112.311 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.415 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 24.6 t80 -62.06 123.14 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.44 178.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.67 -30.95 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.33 80.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 mm -69.83 -12.78 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.06 -17.59 34.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.639 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 mt-30 -126.66 117.61 22.7 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.431 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 14.3 Cg_exo -68.12 62.55 1.02 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.589 2.192 . . . . 0.0 112.131 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -148.31 -40.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 78.3 p -61.17 177.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.6 m -83.06 -38.52 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -38.85 78.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.431 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 33.2 t80 -59.82 -48.83 80.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -73.5 -35.77 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -57.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.6 m -62.2 -40.88 97.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.7 tttt -58.86 -37.28 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.17 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -47.02 87.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mt -71.08 -44.89 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.35 -32.2 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -76.05 -40.76 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.39 -38.98 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 88.1 mt -71.59 -31.85 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -58.46 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.61 -31.47 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.9 tt -60.8 -35.5 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 10.3 m-85 -72.69 -36.88 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -29.06 63.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -92.42 -25.32 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 71.3 p -56.16 170.33 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 m -74.68 -29.65 61.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 20.0 pt -93.81 45.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -89.46 51.27 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.46 -45.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 36.8 m-85 -111.05 24.04 13.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 52' ' ' PHE . 3.1 t80 -105.75 123.97 48.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 -74.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -169.75 -176.04 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.37 -179.05 3.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.94 88.04 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.3 p -64.64 104.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.07 -63.84 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -166.34 -172.65 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -116.48 130.81 56.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.42 119.26 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.415 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . 40.0 t -73.63 127.78 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 31.3 m -76.28 166.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.112 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 t -130.85 78.66 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -162.86 -59.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -110.87 -17.74 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.53 31.2 12.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.847 0.356 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -128.6 -46.21 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -63.8 172.19 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.0 m -146.12 128.49 15.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.23 119.94 5.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.9 t -94.61 126.58 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 111.172 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 84.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 p -106.44 -177.68 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.76 119.16 16.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 1.7 m -84.9 79.14 9.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.401 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 59.5 m-80 -72.18 155.75 39.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -136.28 168.55 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 154.94 88.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.32 -28.04 15.59 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.62 2.213 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.36 -45.57 93.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.57 -179.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -177.6 -37.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.48 49.04 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 46.5 t -106.75 102.57 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.745 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -75.56 154.8 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.9 ptp180 -61.45 -41.36 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.24 -26.51 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.259 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.52 -54.72 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.208 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.5 mt -67.38 -21.8 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.425 ' CE2' HD13 ' A' ' 104' ' ' LEU . 52.3 t80 -81.86 -44.13 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -66.66 -50.73 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.33 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -63.72 -38.26 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.251 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.094 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' A' ' 100' ' ' TYR . 16.5 mt -75.31 -30.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -28.75 66.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -92.51 -23.34 19.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 69.5 p -95.77 23.65 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.257 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 52.47 65.23 1.57 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 46.3 t30 61.85 30.38 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 56.62 14.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.8 p -128.67 -44.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -132.39 116.28 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -94.24 91.65 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.704 179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 36.8 mt 61.05 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -133.33 37.69 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -153.47 111.02 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.1 p -75.15 120.81 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -134.5 159.08 42.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -70.36 162.23 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -94.3 -45.25 7.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -58.14 -34.25 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.7 p -69.14 -30.49 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 27.6 t -67.09 134.85 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -173.68 153.8 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.2 p -140.77 118.0 8.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.98 165.81 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.9 p -68.08 114.52 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.401 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -53.04 -61.59 6.77 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.832 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.401 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 29.6 Cg_endo -63.33 112.02 1.61 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.513 2.142 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -147.97 -52.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.2 p -164.35 132.94 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.76 -70.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.704 0.288 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.57 -65.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.81 -105.66 2.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 63.07 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.66 177.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.6 59.95 0.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m -91.53 -44.97 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -123.88 44.31 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 m -136.84 105.28 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 m 61.86 172.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -135.07 153.49 52.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.407 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 12.8 m-70 -124.58 106.03 9.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.736 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -95.29 107.79 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -54.26 112.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 14.2 tp -98.69 127.46 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -146.85 137.53 23.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -169.59 126.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.8 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -71.15 130.51 41.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 54.2 mt -107.77 102.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.422 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 31.1 p -60.86 -24.13 65.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -88.37 53.65 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -172.59 96.05 0.37 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.87 129.13 17.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.424 2.083 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -80.17 117.95 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.14 176.74 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.76 -49.93 75.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 40.1 mm -64.81 -21.87 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.17 31.07 2.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.91 100.21 0.93 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.427 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 76.8 Cg_exo -50.34 -25.06 12.96 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.46 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -56.67 -29.03 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.2 p -83.95 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -83.06 -30.22 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -56.72 -28.47 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.427 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 88.4 t80 -67.57 -53.53 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.49 -30.66 66.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.0 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -65.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -59.74 -30.64 68.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' HE3' ' CE2' ' A' ' 37' ' ' TYR . 17.1 ttmm -64.11 -59.68 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.14 -31.26 70.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.049 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 10.0 mt -74.06 -48.51 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.16 -40.3 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.11 -47.75 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.29 -38.91 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 25.5 mt -70.88 -30.8 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -59.41 -27.73 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.05 -53.2 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 8.8 m-85 -59.68 -42.74 93.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -66.97 -15.41 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.351 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -105.41 -28.93 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.7 p -58.01 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -96.6 28.52 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.8 pt -151.96 49.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.09 34.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.94 -39.59 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -104.03 -33.15 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 1.1 t80 -60.03 131.36 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -100.37 -60.64 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -177.28 -177.13 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.59 150.78 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.784 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.3 100.77 7.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -69.7 116.13 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.89 -65.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.07 -170.79 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.97 134.76 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -102.54 161.29 13.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t -106.65 133.67 50.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 m -99.46 156.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.4 m -117.15 89.46 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.31 -69.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.0 -19.02 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.182 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.49 30.19 15.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -136.89 19.18 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 40.4 m170 -120.34 -174.71 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.6 m -156.55 115.16 3.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.94 105.73 1.75 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -72.98 134.48 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 111.205 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.68 75.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.078 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -139.68 115.94 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 17.9 m -75.04 77.88 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.526 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.407 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 9.4 m-80 -69.68 145.48 52.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.494 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 8.3 m-85 -132.71 -179.92 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.857 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 m -91.85 158.83 39.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.83 -26.59 27.07 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.531 2.154 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.77 -36.38 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -76.32 177.99 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -178.61 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.05 50.19 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 31.8 t -106.23 95.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -60.47 166.02 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.995 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -74.9 -39.3 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.6 t -62.03 -25.77 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -63.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.424 HD11 ' CE1' ' A' ' 87' ' ' PHE . 8.9 mt -67.66 -26.72 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.415 ' CD2' HD12 ' A' ' 104' ' ' LEU . 73.8 t80 -69.53 -42.97 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -79.27 -44.49 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.4 -33.09 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -75.6 -44.73 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.415 HD12 ' CD2' ' A' ' 100' ' ' TYR . 19.7 mt -59.01 -41.48 87.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -58.91 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.3 tpp -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.501 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 62.9 p -95.99 27.34 3.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 54.74 60.49 3.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.87 28.37 12.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 69.33 35.7 77.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.784 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.8 p -120.22 -15.36 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -158.15 114.16 2.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.5 tm? -97.46 90.76 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 82.5 mt 59.71 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.078 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 m120 -133.67 37.96 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -151.04 94.55 2.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.13 127.75 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -143.17 159.46 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -70.41 160.88 31.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.16 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 7.9 ttt180 -95.08 -53.73 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -31.06 70.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.4 p -60.08 -31.25 69.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.82 146.69 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -169.96 125.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.95 126.21 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.44 177.11 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.0 p -68.7 111.95 5.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.49 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -68.81 -54.94 12.35 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.953 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . 0.49 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 21.0 Cg_endo -62.09 -59.11 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.367 2.045 . . . . 0.0 112.566 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.3 t 70.0 -64.58 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 t 70.05 -65.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -93.83 154.57 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -65.54 -64.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.972 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.58 -120.39 21.44 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.541 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -63.5 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -96.31 160.65 14.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.66 -97.6 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.61 163.24 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m 60.39 47.21 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -103.15 107.45 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p 58.5 167.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -112.27 163.64 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.419 ' CG ' HD12 ' A' ' 84' ' ' LEU . 44.7 m170 -137.19 95.58 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -85.17 113.2 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.26 119.48 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.6 tp -98.2 133.55 42.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.48 137.52 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.5 p90 -177.39 123.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.774 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.0 m -74.95 131.99 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 50.7 mt -100.45 97.71 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.423 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 32.2 p -53.87 -26.14 23.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -87.8 52.41 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.45 88.32 0.33 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.701 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.28 126.81 17.77 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.486 2.124 . . . . 0.0 112.347 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -63.5 97.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -104.67 168.98 8.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.51 -28.27 65.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -68.17 -45.58 73.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.1 mm -68.18 -28.12 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.92 -9.6 58.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.497 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -124.67 109.49 28.28 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.433 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 15.8 Cg_exo -67.58 61.85 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.646 2.23 . . . . 0.0 112.366 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -170.7 34.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 29.9 p -128.64 -175.52 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -83.1 -52.37 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.098 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.7 tttt -57.32 -28.86 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 66.2 t80 -77.38 -49.42 14.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -69.79 -30.72 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.05 -41.24 62.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 74.0 m -72.44 -47.15 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.993 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE3' ' CZ ' ' A' ' 37' ' ' TYR . 5.1 ttmt -58.52 -48.44 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -40.89 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.7 mt -70.23 -48.67 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -43.0 94.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -69.25 -49.16 58.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.47 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 12.4 mt -72.61 -33.47 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -63.43 -39.19 93.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -55.15 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -49.04 -39.4 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 15.9 m-85 -59.55 -47.77 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 mtm105 -74.91 -7.28 53.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.11 -28.75 12.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 51.2 p -66.23 176.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.08 -22.92 38.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 pt -92.93 45.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 38.91 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.12 -45.33 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -110.2 -27.23 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -55.51 127.76 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.11 -66.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -164.33 -177.1 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -113.82 164.83 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -132.22 97.22 4.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.8 p -68.21 110.16 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.71 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.28 -179.49 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -107.84 176.28 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -147.57 155.11 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t -91.83 178.94 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.6 m -146.0 133.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.1 p -62.59 -73.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -59.49 115.49 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.95 120.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.57 29.54 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -105.95 17.02 24.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.423 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 19.6 m170 -127.95 -179.79 5.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.8 0.333 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 60.5 m -159.46 126.49 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.72 134.1 12.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.28 138.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.238 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.55 76.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.89 -177.86 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 HD12 ' CG ' ' A' ' 13' ' ' HIS . 3.2 tm? -135.86 119.44 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.984 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.7 m -73.4 83.11 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.25 139.7 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.31 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.495 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 6.3 m-85 -130.47 -176.88 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.908 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.64 166.07 17.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.13 -33.68 11.25 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.555 2.17 . . . . 0.0 112.383 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.73 -31.21 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -60.02 165.73 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -178.7 -38.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -94.05 46.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.85 121.98 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.6 160.4 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -65.93 -28.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.425 HD11 ' CE1' ' A' ' 87' ' ' PHE . 11.0 mt -64.14 -19.53 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.42 ' CE1' HD11 ' A' ' 104' ' ' LEU . 63.8 t80 -82.16 -46.07 14.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -72.31 -29.14 63.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.261 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.65 -30.36 26.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.074 -179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -76.47 -28.84 56.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.42 HD11 ' CE1' ' A' ' 100' ' ' TYR . 11.6 mt -84.37 -38.54 20.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -61.68 -51.65 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -63.18 -25.16 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 54.7 p -97.02 29.28 3.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.046 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.31 59.47 4.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.08 0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 62.17 37.42 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.69 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.92 70.2 1.08 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.332 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.9 p -141.58 -45.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -129.0 98.87 5.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 111.353 -179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.412 ' O ' ' CD1' ' A' ' 113' ' ' LEU . 1.9 tm? -85.8 85.99 7.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 81.5 mt 60.98 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -132.51 30.49 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -149.85 97.8 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.9 p -64.94 123.43 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -136.27 158.83 43.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.9 167.17 21.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.248 -179.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.11 -49.28 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -57.33 -31.53 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.9 p -70.47 -30.53 67.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.41 143.32 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.015 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -171.19 133.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.1 p -131.97 134.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.025 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.31 174.6 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 m -85.54 112.78 21.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -68.11 -152.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.567 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.11 127.39 14.25 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.548 2.165 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 m -127.9 112.41 14.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 38.2 t 60.48 103.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.21 31.28 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m -117.81 -40.89 2.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.03 120.19 2.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.4 p -93.37 -42.11 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 t -172.91 -54.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.68 -35.62 1.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.436 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.1 t -78.45 146.69 34.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.47 59.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -106.03 29.95 6.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 m -102.37 -177.89 3.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -158.99 131.97 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -126.82 116.79 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 60.2 m-85 -108.78 110.95 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.428 ' O ' ' HA ' ' A' ' 125' ' ' VAL . 4.0 t30 -55.37 111.69 0.94 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 18.4 tp -88.24 136.22 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -153.31 140.18 19.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.976 0.417 . . . . 0.0 111.302 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 21.5 p90 -178.29 116.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.532 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -69.21 133.49 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.449 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.402 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 23.5 mt -106.01 108.73 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 p -68.33 -30.5 69.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.223 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -79.35 -2.91 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.55 90.65 2.84 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.24 116.36 4.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.515 2.144 . . . . 0.0 112.257 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -80.03 128.45 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 m -135.95 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -64.23 -45.82 86.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.49 -13.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.391 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.57 -24.64 20.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.712 0.291 . . . . 0.0 111.192 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -122.52 118.57 28.62 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.446 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 40.4 Cg_exo -56.75 -20.9 37.25 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.514 2.143 . . . . 0.0 112.434 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 t -53.71 -29.11 37.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.2 p -84.14 165.46 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.991 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 12.3 m -83.14 -30.78 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.041 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -58.03 -28.14 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.446 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 27.3 t80 -75.08 -36.24 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -82.07 -38.39 24.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -70.37 -47.72 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 63.1 m -64.7 -46.25 83.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -58.66 -44.46 90.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -71.61 -30.66 66.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -62.13 -45.32 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.995 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.407 HD11 ' CZ ' ' A' ' 69' ' ' PHE . 41.5 mt -70.25 -46.89 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -36.44 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.6 -45.47 58.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.02 -37.03 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.423 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 24.9 mt -71.08 -29.89 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.39 -59.48 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 9.2 pt20 -59.63 -31.16 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.98 -52.77 63.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 m-85 -61.16 -41.45 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -61.91 -29.3 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -94.85 -27.22 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 88.4 p -57.26 155.24 9.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.028 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -59.04 -28.6 66.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.8 pt -93.88 46.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -90.29 46.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.8 t -140.52 -47.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -91.52 -29.0 17.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.8 t80 -67.72 95.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -60.61 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.78 -171.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.414 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 52.6 t -128.92 154.14 46.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -132.96 121.89 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.2 p -83.87 116.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.1 mt -75.05 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.11 171.67 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.407 ' CZ ' HD11 ' A' ' 44' ' ' ILE . 43.5 m-85 -104.97 132.31 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.09 109.48 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 102.13 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 m -64.89 139.16 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 p -85.92 -27.58 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -56.99 -43.05 81.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -142.36 152.73 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -99.61 28.26 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -121.44 -41.91 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -72.13 173.42 8.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 77.0 m -162.69 109.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 106.6 1.86 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.416 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 61.9 t -70.62 141.59 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.193 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -130.02 76.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.541 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.76 -178.86 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -137.22 118.11 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.407 ' HB2' ' HB2' ' A' ' 14' ' ' PHE . 3.9 m -73.62 82.08 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.362 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.81 124.28 22.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.098 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.478 ' CE1' ' CD2' ' A' ' 61' ' ' PHE . 5.0 m-85 -116.57 155.78 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.42 159.16 80.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.64 -14.84 43.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.589 2.193 . . . . 0.0 112.54 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 mp -69.3 -34.61 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.14 178.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.088 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 178.94 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 32.19 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.295 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.443 ' CG1' ' CE2' ' A' ' 87' ' ' PHE . 15.1 t -87.47 140.01 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.65 155.43 45.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -30.59 67.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.013 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.86 -30.19 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.5 -62.98 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.193 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.456 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 10.6 mt -63.98 -23.57 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -75.03 -44.39 48.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.84 -51.49 13.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.95 -28.56 64.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 56.5 t80 -77.06 -58.96 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.227 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.3 mt -56.19 -39.82 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -28.17 69.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 tpp -87.31 -25.97 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.332 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.3 p -93.84 43.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 54.64 52.13 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 62.32 48.25 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.86 40.81 95.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.719 179.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.6 p -124.3 -38.17 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.249 . . . . 0.0 111.35 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 50.5 tt0 -143.32 116.96 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.215 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.414 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.5 tm? -94.61 92.19 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 83.7 mt 61.66 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 5.4 m120 -133.84 43.17 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 87.8 m-85 -158.47 114.25 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 15.4 p -77.68 118.05 19.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.1 pp -135.22 159.75 40.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.28 144.69 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -47.28 19.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -58.94 -32.88 70.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 t -63.47 -33.86 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 18.2 t -59.67 150.19 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -174.02 131.9 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.428 ' HA ' ' O ' ' A' ' 15' ' ' ASN . 14.9 p -129.48 117.38 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.79 170.61 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 m -74.14 101.67 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.988 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.68 157.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.699 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.43 -60.16 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.4 m 62.3 89.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.7 t -108.56 145.51 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -136.69 143.25 43.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -172.94 149.13 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.39 -149.37 13.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -157.6 168.03 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -153.53 111.01 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.21 -141.75 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -78.07 -178.64 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.61 164.6 31.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -83.53 173.71 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -177.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.82 146.23 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.407 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 31.9 m170 -128.05 109.31 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -95.92 118.1 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.736 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.97 119.0 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 23.4 tp -98.35 128.32 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.56 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -146.31 135.27 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.425 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CZ ' HG12 ' A' ' 81' ' ' VAL . 19.0 p90 -171.27 115.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.444 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -77.65 132.7 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.401 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 19.0 mt -97.0 131.41 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.826 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.421 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 6.3 p -97.11 32.03 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -146.44 30.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -143.97 105.4 4.86 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.768 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.4 143.09 62.22 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.373 2.049 . . . . 0.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -102.88 122.31 44.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 p -128.47 177.15 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.3 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.2 mm -59.56 -28.42 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.83 -18.98 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.324 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.7 113.46 22.61 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 51.3 Cg_exo -53.14 -23.64 23.2 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.516 2.144 . . . . 0.0 112.439 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -55.46 -29.68 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 27.6 p -74.64 162.94 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -82.93 -29.77 28.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.9 tttt -58.72 -29.83 66.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 65.2 t80 -80.66 -53.45 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -59.92 -31.3 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -65.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.6 m -61.23 -31.23 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.92 -31.12 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -83.49 -40.36 19.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -59.46 -43.2 93.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 mt -69.92 -45.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.94 87.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.36 -37.77 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.72 -35.15 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 72.3 mt -72.4 -30.73 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -59.66 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.991 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.12 -30.25 67.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.02 -36.42 79.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.4 m-85 -76.81 -41.46 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -26.54 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -88.64 -29.53 19.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.7 p -66.44 161.45 22.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.996 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -59.89 -26.39 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.0 pt -93.21 45.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -91.53 50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -141.7 -47.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -90.0 -36.7 14.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -59.54 115.35 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -61.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -175.38 -176.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -113.04 150.19 32.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -120.83 93.7 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.1 p -68.66 107.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.14 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.93 -171.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -113.94 119.17 36.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -78.34 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -75.88 162.4 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 15.3 m -146.41 154.68 12.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.7 m -105.02 -47.23 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.2 130.34 46.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 79.52 -50.53 0.4 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.28 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.26 32.08 1.02 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.76 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.5 26.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.421 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 52.9 m170 -117.0 -179.91 3.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -163.88 120.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.52 108.45 2.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.42 HG12 ' CZ ' ' A' ' 18' ' ' PHE . 36.6 t -77.98 93.12 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.215 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.73 86.84 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.669 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.0 p -108.95 -177.58 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -136.16 118.8 15.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 44.9 m -78.53 81.13 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 179.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.407 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 4.6 m-80 -70.11 142.3 52.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.42 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.3 m-85 -131.41 -177.03 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.833 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.12 151.77 42.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.972 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 23.1 Cg_exo -63.88 -20.79 68.78 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.607 2.204 . . . . 0.0 112.541 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.33 -27.08 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -59.48 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.306 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 62.28 24.13 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 30.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.404 HG11 ' CE2' ' A' ' 87' ' ' PHE . 28.4 t -100.82 149.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.83 159.34 40.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 6.3 ptt180 -62.23 -34.53 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.23 -30.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.86 -54.74 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.42 HD11 ' CE1' ' A' ' 87' ' ' PHE . 9.7 mt -65.94 -25.6 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.412 ' CE2' HD11 ' A' ' 104' ' ' LEU . 78.4 t80 -75.68 -44.22 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.41 -54.77 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -35.26 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.119 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -65.21 -45.7 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.024 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.412 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -63.39 -37.26 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.08 -33.28 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.2 tpp -87.69 -24.33 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.331 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.4 ' CG2' HD22 ' A' ' 113' ' ' LEU . 22.3 p -95.73 25.05 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.238 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 52.01 78.83 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.189 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 55.78 29.21 13.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.88 66.09 2.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.407 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.4 p -146.34 -44.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.709 0.29 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 4.7 tt0 -122.52 99.76 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 111.217 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.4 HD22 ' CG2' ' A' ' 107' ' ' THR . 2.0 tm? -70.23 91.21 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 29.2 mt 62.18 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 -179.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -115.72 -35.47 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -76.88 159.17 30.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 71.0 p -117.34 114.22 23.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 pp -127.79 161.89 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.166 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.77 172.45 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -105.79 -50.23 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -52.52 -28.29 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.3 t -77.74 -28.88 50.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.15 135.71 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 20.7 t80 -174.04 148.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . 0.44 ' N ' ' CD1' ' A' ' 124' ' ' PHE . 14.4 p -145.25 138.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.77 -172.61 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.08 83.21 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.98 -176.13 2.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.577 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.73 -173.91 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.617 2.211 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 t 58.84 21.6 9.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.1 m 53.3 29.02 7.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -83.57 61.04 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -170.4 -47.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.76 57.52 19.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -68.08 100.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.727 0.299 . . . . 0.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.69 32.46 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.73 105.07 0.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -68.62 82.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.35 -27.08 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.9 36.96 5.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.94 -174.55 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -145.5 133.89 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.41 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 32.7 m170 -114.73 119.05 35.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.403 ' CZ ' ' O ' ' A' ' 94' ' ' VAL . 84.4 m-85 -107.1 109.41 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -58.15 106.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 25.4 tp -89.02 125.86 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -144.14 141.01 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 111.466 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.416 ' CE1' HG12 ' A' ' 81' ' ' VAL . 21.7 p90 -178.17 112.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.478 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -67.63 133.72 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.243 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.405 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 22.3 mt -103.08 100.11 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.417 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 36.1 p -53.14 -28.69 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.243 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -94.44 44.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -151.93 91.83 3.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.62 144.35 54.45 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.481 2.121 . . . . 0.0 112.334 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -103.72 128.99 51.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.5 p -132.23 179.02 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.7 -30.38 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.8 -46.96 76.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.455 ' CD1' ' HG3' ' A' ' 36' ' ' LYS . 29.6 mm -66.42 -14.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.59 36.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.264 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 6.2 mt-30 -119.21 137.35 25.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.436 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 5.8 Cg_exo -73.99 -2.56 12.45 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.674 2.249 . . . . 0.0 112.745 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 t -94.27 32.63 1.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.638 0.256 . . . . 0.0 111.292 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 5.6 p -138.66 140.06 38.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m -57.56 -38.99 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.455 ' HG3' ' CD1' ' A' ' 29' ' ' ILE . 11.4 tptp -59.13 -29.21 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.6 t80 -73.74 -61.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.62 -30.64 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.31 -52.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -60.95 -44.65 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.0 ttmt -59.43 -56.3 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -58.81 -38.76 79.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -60.11 -50.83 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.0 mt -71.31 -47.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -29.8 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.81 -45.19 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.27 -37.28 83.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 15.7 mt -71.95 -30.96 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -57.73 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -63.25 -26.91 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.0 tt -63.74 -30.4 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.017 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.1 m-85 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 -56.03 -23.45 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -88.14 -29.04 20.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.3 p -62.69 168.86 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 p -70.61 -26.96 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 24.9 pt -94.16 46.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.069 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -89.53 52.35 2.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -137.59 -52.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -88.21 -30.24 19.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 t80 -56.98 107.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -76.87 -60.76 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -177.2 176.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.426 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -111.77 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -96.25 101.17 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 10.4 p -73.08 107.88 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.11 -65.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.39 -176.1 2.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -113.68 136.17 53.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -88.92 131.95 34.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 t -87.77 112.13 22.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -71.16 179.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.59 161.1 38.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 60.82 34.85 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -176.79 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.15 26.8 16.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -113.29 -22.43 10.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.417 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 7.5 m170 -103.36 172.02 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -150.39 110.7 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 112.56 4.96 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.416 HG12 ' CE1' ' A' ' 18' ' ' PHE . 48.2 t -73.62 133.5 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.51 78.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.367 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.63 175.92 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 -179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -135.26 103.47 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.887 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 14.7 m -67.52 76.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 110.463 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.41 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 2.8 m-80 -69.23 146.03 52.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 13.5 m-85 -133.31 148.92 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -56.8 153.88 20.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.34 -31.2 94.56 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.557 2.171 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.0 -31.49 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.28 135.52 54.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.94 33.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -167.58 33.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 21.2 t -97.33 87.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.57 156.77 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -63.61 -29.65 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.65 -59.88 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.405 HG12 ' CZ ' ' A' ' 87' ' ' PHE . 8.4 mt -69.84 -23.69 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.421 ' CE2' HD12 ' A' ' 104' ' ' LEU . 57.8 t80 -75.83 -41.57 52.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -74.95 -41.3 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.27 -37.71 78.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . 0.411 ' CE1' HG21 ' A' ' 107' ' ' THR . 35.0 t80 -71.58 -47.63 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.421 HD12 ' CE2' ' A' ' 100' ' ' TYR . 21.3 mt -60.06 -42.18 93.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -42.81 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 tpp -78.12 -28.71 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.21 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . 0.411 HG21 ' CE1' ' A' ' 103' ' ' PHE . 42.9 p -97.08 26.42 4.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.0 m170 51.59 78.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 52.04 26.32 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 66.57 70.43 1.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.421 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -139.61 -46.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.7 119.83 19.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -95.03 92.24 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.724 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 33.4 mt 61.03 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -131.76 29.52 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.773 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -141.02 109.33 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.2 p -75.82 115.98 16.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.004 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.7 pp -128.91 160.41 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -85.72 159.94 19.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 21.8 ttp-105 -90.5 -42.77 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -34.33 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.3 p -71.37 -29.76 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.5 145.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -171.59 127.27 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.818 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.3 p -128.18 112.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.2 161.63 25.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.2 m -75.38 90.59 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.75 -177.77 1.33 Allowed Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.72 -48.06 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.567 2.178 . . . . 0.0 112.458 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.3 p 176.37 135.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 m -93.8 175.33 6.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -142.04 157.68 44.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -138.4 82.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.75 -52.65 40.6 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -61.73 146.82 48.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.322 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.6 137.59 5.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 92.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -106.04 -174.82 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.71 105.88 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.829 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.9 p -130.67 131.91 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.29 160.69 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -120.77 152.19 38.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 43.8 m170 -117.12 133.45 55.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 16.6 m-85 -125.26 104.42 8.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.752 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.59 111.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.267 -179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.0 tp -99.06 115.27 28.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -130.6 140.2 50.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 111.249 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 15.7 p90 -178.25 127.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.57 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -84.84 138.61 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.392 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mt -106.97 130.18 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.877 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 p -96.17 20.79 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -113.22 -31.26 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -91.91 105.0 11.91 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.786 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.33 130.65 22.96 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.334 2.023 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.03 153.57 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -162.05 162.94 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -30.96 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -69.6 -42.46 74.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 42.0 mm -63.43 -17.09 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.411 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.76 28.33 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.99 109.53 0.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.437 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 50.7 Cg_exo -53.98 -21.87 22.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.468 2.112 . . . . 0.0 112.504 -179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -56.27 -34.23 66.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 25.9 p -76.92 164.9 25.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.9 m -83.13 -29.46 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -58.23 -30.02 66.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 61.8 t80 -71.97 -55.62 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.73 -38.59 88.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -60.04 -57.54 12.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.3 m -64.64 -38.78 92.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.746 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' HD3' ' CE2' ' A' ' 37' ' ' TYR . 15.1 ttpt -60.33 -36.49 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -39.96 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -45.96 92.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -67.2 -40.92 86.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.59 -30.49 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.6 -47.11 28.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.41 98.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 92.2 mt -68.22 -32.99 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.04 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.42 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -55.78 -64.54 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.04 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.35 -27.37 62.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.8 tt -58.85 -36.22 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.78 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' CE2' ' HA ' ' A' ' 49' ' ' ASN . 1.5 m-85 -73.67 -47.09 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -26.16 36.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -104.33 -16.24 15.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 52.2 p -54.16 158.16 2.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.776 0.322 . . . . 0.0 111.152 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -64.29 -25.39 68.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.9 pt -103.88 51.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -85.62 50.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.208 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -146.69 18.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.079 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CG ' ' O ' ' A' ' 59' ' ' SER . 18.4 m-85 -162.65 -43.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.942 0.401 . . . . 0.0 110.711 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -52.98 121.05 6.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 t -89.64 -60.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -179.15 -178.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.68 168.23 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -134.65 98.31 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.0 p -66.51 102.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.32 -56.65 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.37 -173.77 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.35 167.36 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -128.22 141.71 51.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.84 147.67 28.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.9 m -113.19 148.37 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -95.69 173.31 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.23 -77.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -97.13 114.97 26.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -93.02 47.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -128.19 20.32 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -134.02 179.06 6.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.746 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.7 m -159.81 123.88 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.28 150.49 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -121.04 122.54 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 111.276 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.38 81.47 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.458 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.1 p -101.5 174.84 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -134.46 109.52 8.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.998 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 33.4 m -67.25 76.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.516 179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.2 145.54 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 10.9 m-85 -130.19 144.07 51.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.799 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.01 155.32 64.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -55.92 -28.09 66.57 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.522 2.148 . . . . 0.0 112.272 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -68.34 -27.23 66.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.1 148.31 22.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -167.9 150.9 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.65 35.58 11.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.7 t -103.16 123.02 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -98.62 172.46 7.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -72.36 -34.19 67.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 t -66.83 -29.08 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.15 -60.38 3.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.423 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 10.2 mt -63.34 -26.33 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.437 ' CE2' ' CD1' ' A' ' 104' ' ' LEU . 84.7 t80 -72.54 -45.52 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.43 -54.27 30.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -28.94 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.277 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -75.33 -31.57 60.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.124 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.437 ' CD1' ' CE2' ' A' ' 100' ' ' TYR . 71.2 mt -79.6 -29.6 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.089 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -35.71 76.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.0 tpp -84.67 -23.58 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.298 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 38.2 p -95.25 22.64 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.304 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 51.92 81.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 53.59 27.08 6.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.51 77.04 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.0 p -156.82 -43.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -125.12 100.07 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.199 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -76.39 89.58 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.435 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 83.7 mt 62.2 -80.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.85 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.66 -34.83 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -80.6 129.98 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.089 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 21.7 p -93.57 115.55 28.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.656 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 pp -125.76 160.31 30.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 0.0 111.222 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -69.02 -170.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.217 -179.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -121.38 -43.68 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -39.76 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -65.42 -29.54 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.74 130.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -173.93 127.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 12.2 p -117.71 130.05 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.264 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.88 162.8 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.415 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 48.0 t -82.06 74.79 9.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.05 159.6 0.03 OUTLIER Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.818 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.95 114.45 2.8 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.689 2.259 . . . . 0.0 112.096 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.0 t -159.34 -64.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.4 t 69.0 -67.62 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -139.03 -47.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -60.73 104.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.86 76.32 0.12 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -132.65 -61.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -64.32 130.15 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.77 48.82 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t -142.8 152.54 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -176.66 -179.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.89 43.27 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 p -95.51 -178.96 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -159.44 131.97 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 111.052 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.412 ' CD2' ' OD1' ' A' ' 86' ' ' ASN . 53.5 m170 -130.18 117.14 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.794 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 26.9 m-85 -106.41 110.88 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -55.69 109.33 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 15.4 tp -95.16 127.58 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -147.52 142.0 26.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -176.14 115.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.1 m -65.4 130.9 44.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 38.7 mt -105.31 95.98 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.844 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.0 p -56.27 -27.2 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -71.51 -15.81 62.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -114.18 91.76 24.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -59.63 162.08 16.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.525 2.15 . . . . 0.0 112.074 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.407 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 9.0 t80 -116.09 97.79 6.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -98.02 -176.53 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -29.12 65.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -59.46 -50.12 75.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.92 -29.02 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.075 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.94 -20.4 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -128.19 119.85 20.99 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.429 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 52.9 Cg_exo -55.25 -22.78 34.15 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.446 2.097 . . . . 0.0 112.444 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 t -56.2 -28.85 59.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 73.4 p -71.97 160.11 33.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.943 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.6 m -83.05 -28.11 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.992 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 57.7 t80 -61.57 -51.7 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.9 -34.1 71.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -58.85 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 76.2 m -60.9 -33.17 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.993 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.48 -42.96 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.091 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -78.16 -29.65 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 t -65.62 -47.19 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.77 -47.46 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -30.7 67.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -80.86 -37.06 30.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -72.38 -33.33 67.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.051 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 14.5 mt -71.1 -39.3 72.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -57.82 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.975 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.97 -30.51 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 ' CD1' ' CD2' ' A' ' 113' ' ' LEU . 10.0 tt -66.59 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 17.8 m-85 -75.06 -35.67 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -13.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.341 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -109.37 30.29 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 p -123.2 169.58 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -70.61 -27.71 64.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.79 43.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 45.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.1 m -126.44 -43.3 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -106.12 -29.8 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.505 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.6 t80 -57.89 126.99 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.2 p -98.48 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.41 -173.63 1.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.23 158.82 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -123.05 96.12 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 7.8 p -68.69 98.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.45 -64.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.64 -178.22 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -111.54 136.98 49.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -103.52 155.52 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 41.4 t -114.22 110.08 19.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.85 149.92 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.6 p -113.08 80.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -163.35 -66.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -99.16 -25.9 14.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.974 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.58 29.35 13.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.96 23.24 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.012 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -131.63 -169.83 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 m -164.46 115.93 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 113.62 4.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.371 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 42.2 t -77.09 134.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.84 81.78 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.474 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.66 179.98 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.253 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -137.81 111.28 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 35.5 m -66.08 79.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.327 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 14.2 m-80 -68.3 139.99 55.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.398 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' CE1' ' CD1' ' A' ' 99' ' ' ILE . 7.1 m-85 -129.25 164.18 24.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.87 148.63 57.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.92 -27.02 83.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.559 2.173 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.24 -32.63 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.45 -178.51 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.29 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -94.45 37.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.9 t -99.79 108.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 160.86 14.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.037 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.09 73.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -59.98 -30.82 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.08 -62.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.457 ' CD1' ' CE1' ' A' ' 87' ' ' PHE . 8.7 mt -67.46 -16.94 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.417 ' CZ ' HD12 ' A' ' 104' ' ' LEU . 33.4 t80 -81.16 -42.29 21.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.87 -29.91 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -74.91 -32.45 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.59 -48.93 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.417 HD12 ' CZ ' ' A' ' 100' ' ' TYR . 66.6 mt -61.82 -39.77 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -60.19 -36.75 78.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 tpp -81.11 -29.4 34.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 57.2 p -95.45 22.24 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.8 m80 54.24 71.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.0 t30 58.22 32.46 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.038 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.32 68.93 1.44 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.5 p -134.9 -45.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.748 0.309 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -140.47 105.7 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.101 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 115' ' ' ASN . 1.9 tm? -78.89 97.42 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 69.2 mt 61.75 -80.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.4 t-20 -136.65 35.99 2.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -143.86 107.71 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.6 p -72.2 114.07 9.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.9 pp -128.61 160.46 32.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.44 160.82 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -97.08 -42.56 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -32.4 69.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.3 p -70.34 -25.69 63.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 41.6 t -57.51 152.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -169.83 115.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 8.2 p -120.43 79.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.998 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.48 147.54 24.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 30.8 t -70.85 97.71 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 55.53 -131.41 49.11 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.27 -48.87 1.5 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.329 2.019 . . . . 0.0 112.203 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.26 35.84 26.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.1 p -80.35 77.76 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.81 132.36 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -109.63 -31.34 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 46.33 0.95 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.562 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 60.35 178.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -177.54 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.75 -50.4 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 t 68.28 -69.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.994 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -131.02 102.26 5.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.25 156.6 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.96 179.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -142.88 168.52 19.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.8 m170 -137.62 128.16 26.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 89.4 m-85 -117.78 109.65 16.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -50.87 105.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.395 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 20.5 tp -85.72 138.41 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -152.63 134.72 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.358 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -176.81 113.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.645 179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -74.74 138.73 42.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mt -101.08 146.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.906 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.0 p -108.47 33.22 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 20.5 t30 -153.62 30.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.83 94.49 12.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.766 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 29.1 Cg_endo -63.2 126.89 18.79 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.073 . . . . 0.0 112.353 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 26' ' ' SER . 15.0 t80 -85.56 156.86 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.4 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 37.8 m -161.72 172.45 16.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -31.05 69.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 -60.58 -43.36 97.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.3 mm -64.6 -15.41 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.437 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.78 20.31 10.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.268 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.44 115.86 1.16 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.721 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.458 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 35.6 Cg_exo -59.31 -18.39 45.06 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.436 2.09 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -62.04 -31.9 72.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.089 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.5 p -77.73 166.02 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.2 m -83.06 -37.11 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.3 tptm -54.22 -28.55 41.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CD2' ' HA ' ' A' ' 32' ' ' PRO . 55.4 t80 -67.22 -59.47 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.94 -35.82 81.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -60.07 -52.54 64.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.7 m -72.86 -38.58 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 22.9 tttt -65.62 -32.93 74.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -82.14 -32.57 30.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -61.08 -56.45 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.34 -42.01 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.43 -30.88 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.647 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -76.94 -41.54 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -65.92 -44.67 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' HB3' ' CE2' ' A' ' 52' ' ' PHE . 13.7 mt -62.0 -39.58 92.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -80.97 -23.73 38.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.0 tt -78.04 -36.73 48.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE2' ' CE1' ' A' ' 61' ' ' PHE . 13.6 m-85 -68.2 -50.66 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -23.95 57.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -100.42 -25.12 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 97.7 p -56.2 162.39 2.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.147 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 p -58.51 -22.15 54.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -110.56 55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.026 0.441 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 25.25 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.332 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.6 p -129.22 19.83 5.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.98 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 59' ' ' SER . 20.4 m-85 -152.23 -45.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 52' ' ' PHE . 2.6 t80 -54.77 115.79 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.9 p -76.77 -73.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -159.33 -174.02 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.44 141.61 47.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -115.17 93.7 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.0 p -68.56 115.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.15 -66.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.13 -169.87 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -122.5 131.47 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -94.15 115.02 27.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -80.13 111.17 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 m -70.8 140.02 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.7 m -93.96 -28.11 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -57.36 -36.13 70.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -152.95 128.46 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -82.52 75.81 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -164.86 -43.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -78.8 176.35 9.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 83.3 m -161.71 133.6 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.37 119.46 4.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 43.9 t -87.35 93.79 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.23 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.54 87.44 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.6 p -108.94 -177.33 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -137.65 119.99 15.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 4.8 m -70.03 84.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -72.95 128.36 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.016 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.47 ' CE1' ' CD2' ' A' ' 61' ' ' PHE . 6.1 m-85 -117.34 173.19 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.42 166.04 12.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.06 -33.45 73.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.518 2.146 . . . . 0.0 112.261 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.63 -25.87 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.999 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.419 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . . . -56.68 143.52 35.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -89.13 -163.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.792 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -66.95 73.56 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.914 0.388 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . 0.409 HG22 ' CE2' ' A' ' 87' ' ' PHE . 20.1 t -70.02 152.07 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 159.29 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -59.01 -30.38 67.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.6 t -67.9 -29.04 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -63.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.456 ' CD1' ' CD2' ' A' ' 14' ' ' PHE . 10.8 mt -65.49 -20.82 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -80.97 -44.21 18.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -68.12 -50.19 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -41.33 86.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.037 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -61.06 -32.62 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 51.2 mt -77.51 -30.21 52.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -29.98 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 tpp -91.57 -23.58 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 68.6 p -95.66 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.205 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 40.7 m80 52.76 66.97 1.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.927 0.394 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 t30 60.65 30.48 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.76 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.92 83.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.7 p -157.17 -45.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.033 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -133.98 112.29 11.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -88.16 95.51 10.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 40.1 mt 61.32 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.73 33.32 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -145.64 117.32 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.5 p -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 pp -129.02 160.52 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.52 156.41 30.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.637 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.3 ttt-85 -88.34 -47.92 8.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.908 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -57.76 -32.95 67.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.2 p -68.24 -31.08 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 24.8 t -65.46 138.54 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -171.04 135.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.9 p -131.8 124.38 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.47 163.37 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.1 p -82.35 119.37 24.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -65.67 -65.28 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.45 -167.73 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.746 2.297 . . . . 0.0 112.213 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 m 59.97 166.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.5 p -150.58 141.73 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.78 -40.44 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.26 -70.0 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.03 81.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -95.4 -179.79 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -132.34 174.67 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.74 106.22 0.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.52 38.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 m -109.74 -31.16 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.67 -172.72 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t 61.05 156.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -141.55 156.27 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.408 ' HB3' HD12 ' A' ' 84' ' ' LEU . 7.4 m170 -125.92 121.04 32.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -109.27 106.51 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.965 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -51.48 111.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 19.8 tp -96.25 127.0 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.533 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -143.75 141.82 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 111.416 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.8 p90 -178.83 121.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.595 179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.2 m -75.17 137.37 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.4 ' CD1' ' CG2' ' A' ' 81' ' ' VAL . 22.0 mt -106.03 119.18 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.41 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 30.2 p -75.62 -24.65 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -92.57 45.36 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.6 89.55 1.51 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.75 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.4 126.84 16.25 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.486 2.124 . . . . 0.0 112.335 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -78.02 91.87 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -110.32 177.0 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.15 -30.5 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -60.78 -30.09 69.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 28.6 mm -90.15 12.87 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.43 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 20.71 7.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 111.184 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.53 109.02 1.83 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.657 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.466 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 50.8 Cg_exo -54.86 -21.56 26.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.426 2.084 . . . . 0.0 112.551 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.9 t -58.39 -28.52 65.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 p -86.54 164.97 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.7 m -83.1 -30.51 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.76 -38.74 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.113 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 58.4 t80 -70.26 -46.92 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.63 -31.37 68.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -71.69 -57.62 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.8 m -57.43 -42.42 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.055 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -59.99 -50.77 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.68 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.3 mt -69.01 -50.48 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -38.12 81.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.38 -39.78 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.09 -38.49 85.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 51.0 mt -65.06 -49.54 69.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -31.26 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.45 -29.42 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.38 -40.55 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.1 m-85 -64.52 -44.36 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -28.12 60.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.63 -23.45 15.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 p -54.77 168.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.062 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -64.71 -31.63 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 33.9 pt -96.95 47.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -82.74 59.31 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.0 t -151.92 -46.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.53 -30.27 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -59.89 114.05 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -80.27 -68.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -177.3 179.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 158.27 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -124.46 96.79 5.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 9.6 p -67.89 104.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 mt -72.39 -61.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.1 174.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -101.32 137.59 39.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.17 103.5 14.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p -58.79 154.56 14.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.55 145.55 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 m -91.95 -35.56 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.52 -69.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -119.68 97.94 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.57 -27.97 42.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.72 -27.85 63.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.41 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 43.3 m170 -89.71 167.88 12.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.0 m -155.25 122.28 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.73 134.78 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.603 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 20' ' ' ILE . 51.3 t -103.24 125.16 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.43 84.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -109.8 172.8 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.408 HD12 ' HB3' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -134.42 111.81 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.0 m -70.92 75.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.48 179.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -70.96 155.12 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.477 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 15.6 m-85 -141.73 156.02 45.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 166.29 7.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.36 -40.64 7.87 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.545 2.163 . . . . 0.0 112.209 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.3 -28.74 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.57 100.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.55 30.51 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.76 69.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.8 100.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.83 159.47 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -66.59 -31.13 71.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.66 -27.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 -59.83 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.209 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.414 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.5 mt -65.61 -23.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.404 ' CD2' HD13 ' A' ' 104' ' ' LEU . 57.9 t80 -75.61 -43.5 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.36 -45.17 48.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -63.45 -30.62 71.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.004 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -75.06 -40.0 60.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 HD13 ' CD2' ' A' ' 100' ' ' TYR . 8.8 mt -71.75 -32.84 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.53 -34.02 76.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.1 tpp -85.31 -22.23 28.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 58.2 p -96.61 32.9 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 57.73 57.34 4.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.62 40.31 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.09 76.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.2 p -157.24 -45.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -137.0 115.36 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.246 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -85.81 94.87 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.632 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 83.6 mt 62.37 -79.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -133.96 42.4 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -154.89 117.23 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.6 p -81.75 113.73 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.5 pp -128.02 160.05 33.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.996 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.01 173.61 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.028 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -112.2 -49.9 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -38.23 80.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -59.57 -30.42 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 19.7 t -63.26 139.38 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -165.52 126.3 1.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 11.9 p -126.69 117.8 49.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.82 165.38 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.1 111.12 10.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.12 -102.43 0.01 OUTLIER Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.518 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.51 -8.43 23.25 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.536 2.157 . . . . 0.0 112.597 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.7 155.69 0.1 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.2 t -70.21 74.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.523 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.15 152.4 48.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.645 ' HB3' HD11 ' A' ' 84' ' ' LEU . 3.7 m80 -121.52 129.82 53.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.467 ' O ' HD22 ' A' ' 84' ' ' LEU . 37.2 m-85 -115.37 133.93 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.4 m120 -78.94 110.62 14.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.821 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.1 tp -96.27 127.38 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -143.4 139.59 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 111.474 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.923 ' HB2' HG22 ' A' ' 123' ' ' VAL . 22.3 p90 -178.11 113.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.558 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -69.45 137.29 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.362 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 81' ' ' VAL . 44.8 mt -106.11 103.37 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 p -55.53 -25.26 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.76 51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.0 0.429 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.604 HD23 ' HE2' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -169.94 95.68 0.49 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.13 143.71 60.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.447 2.098 . . . . 0.0 112.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 16.6 t80 -85.99 87.83 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -93.75 177.27 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.7 -32.76 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.842 ' HA ' HG21 ' A' ' 34' ' ' THR . 73.6 m-20 -62.27 -45.12 94.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.452 HD11 ' HG3' ' A' ' 36' ' ' LYS . 39.4 mm -63.52 -17.27 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.09 -27.47 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 34' ' ' THR . 2.9 mm100 -111.56 120.43 42.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.6 Cg_exo -62.05 -12.86 28.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.493 2.128 . . . . 0.0 112.789 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -93.01 35.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.787 0.327 . . . . 0.0 111.267 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.842 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.4 p -125.55 170.15 11.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -82.27 -46.84 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.452 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.55 -27.11 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 25.3 t80 -79.69 -59.17 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -57.96 -42.66 85.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -59.44 -60.44 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.3 m -59.87 -35.96 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.06 -44.02 95.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -82.92 -31.13 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -59.94 -50.52 73.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.36 -46.03 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.58 -31.87 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -75.54 -38.24 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.773 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.998 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -69.03 -35.71 76.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.4 -32.16 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.39 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.86 -20.23 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.411 ' O ' ' HE3' ' A' ' 106' ' ' MET . 8.9 tt -76.65 -35.44 57.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 23.6 m-85 -66.43 -53.35 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.995 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -55.62 -24.07 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -93.69 -27.66 16.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.424 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 80.9 p -59.02 170.55 0.84 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 t -69.96 -29.7 66.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.2 pt -93.56 46.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -87.66 53.73 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.72 -46.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.787 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.571 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 53.7 m-85 -92.8 -31.0 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 10.5 t80 -73.0 119.41 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.74 -73.82 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -160.47 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.15 159.26 23.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -128.1 101.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.6 p -73.02 97.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.55 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.13 -165.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -121.63 146.0 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mmm-85 -116.79 151.81 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 30.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.335 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -136.88 -175.34 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.8 m -158.13 122.15 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.12 114.33 3.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.354 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 20' ' ' ILE . 33.5 t -78.95 112.61 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.314 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.08 85.32 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.48 178.27 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -138.02 104.78 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.871 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.821 ' SG ' HD13 ' A' ' 16' ' ' LEU . 21.3 m -66.71 75.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -68.82 149.22 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CE2' HG11 ' A' ' 94' ' ' VAL . 7.3 m-85 -129.4 178.55 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.82 166.06 14.71 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.15 -27.87 73.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.506 2.137 . . . . 0.0 112.214 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.33 -31.08 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -61.51 113.67 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.36 -41.61 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -100.04 80.98 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.52 HG11 ' CE2' ' A' ' 87' ' ' PHE . 26.9 t -133.51 122.19 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.024 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.48 168.21 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.1 mtm-85 -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.65 -25.79 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.213 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.04 -62.96 1.31 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.753 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.8 mt -65.9 -24.32 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 104' ' ' LEU . 64.6 t80 -70.79 -42.7 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.15 -36.41 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.065 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.53 -29.63 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -83.94 -30.01 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 100' ' ' TYR . 30.5 mt -74.87 -32.34 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -39.07 90.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.158 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.424 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 2.5 tpp -81.92 -26.81 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.692 HG22 HD23 ' A' ' 113' ' ' LEU . 73.4 p -94.59 20.74 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.29 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.8 m170 51.3 67.73 0.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 61.11 31.19 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.85 67.56 2.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.435 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -137.42 -46.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.682 0.277 . . . . 0.0 111.027 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.489 ' HG3' HG22 ' A' ' 117' ' ' THR . 5.5 tt0 -131.59 103.35 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.0 tm? -87.75 88.09 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.998 HD12 ' HB1' ' A' ' 47' ' ' ALA . 35.5 mt 61.52 -80.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.084 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 11.1 t-20 -134.1 33.54 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.604 ' HE2' HD23 ' A' ' 23' ' ' LEU . 29.1 m-85 -148.53 98.08 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.489 HG22 ' HG3' ' A' ' 112' ' ' GLN . 22.7 p -66.02 118.51 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -131.89 159.55 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.014 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.655 ' O ' HD12 ' A' ' 118' ' ' LEU . 1.3 t70 -72.79 172.78 10.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.205 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.409 ' HG3' HD22 ' A' ' 104' ' ' LEU . 5.3 ttp85 -109.66 -50.23 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -58.84 -35.1 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 100.0 p -64.89 -35.01 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.813 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 18' ' ' PHE . 21.3 t -60.21 147.43 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -173.96 136.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -122.26 136.63 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.8 -172.2 3.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.88 0.371 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.03 155.71 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.8 ' HB3' HD11 ' A' ' 84' ' ' LEU . 64.9 m170 -124.51 147.37 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 94' ' ' VAL . 38.5 m-85 -137.7 126.74 24.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.738 ' O ' HG23 ' A' ' 125' ' ' VAL . 1.7 t-20 -66.53 114.23 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.833 HD13 ' SG ' ' A' ' 85' ' ' CYS . 27.4 tp -96.26 129.29 43.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -148.18 144.27 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.037 0.446 . . . . 0.0 111.359 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.899 ' HB2' HG22 ' A' ' 123' ' ' VAL . 19.7 p90 -176.61 113.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.464 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -67.89 131.17 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.579 HG22 ' H ' ' A' ' 22' ' ' ASN . 22.2 mt -105.04 133.19 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.8 p -97.74 30.05 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.579 ' H ' HG22 ' A' ' 20' ' ' ILE . 40.5 t30 -123.27 -42.99 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -78.31 112.38 25.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.46 112.91 3.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' HG23 ' A' ' 79' ' ' THR . 8.0 t80 -69.2 130.23 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 m -143.38 -173.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.48 -50.05 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.734 HD11 ' CE ' ' A' ' 36' ' ' LYS . 39.6 mm -72.61 -19.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.323 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.74 30.22 2.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.03 106.33 1.02 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.76 64.22 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.479 2.119 . . . . 0.0 112.291 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -165.37 31.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 p -134.88 176.29 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 m -83.02 -34.0 26.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.734 ' CE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -71.12 -32.74 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -63.61 -59.49 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.96 -28.93 67.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -57.25 -65.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.406 HG21 ' HG ' ' A' ' 23' ' ' LEU . 22.6 m -67.05 -30.64 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.033 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HG2' HG11 ' A' ' 66' ' ' VAL . 17.0 tttm -58.25 -33.5 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -31.74 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -52.21 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.555 HD12 ' CE1' ' A' ' 69' ' ' PHE . 44.2 mt -62.97 -45.08 99.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.022 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.31 -29.85 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -75.73 -44.72 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.015 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -63.43 -34.05 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 55.0 mt -71.13 -33.65 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -63.41 -59.73 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.023 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -56.31 -30.21 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.643 HD12 HD21 ' A' ' 113' ' ' LEU . 5.4 tt -63.96 -45.05 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 10.1 m-85 -61.45 -29.9 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -27.22 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -96.79 25.71 5.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -122.92 170.67 9.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -59.66 -32.38 70.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.5 pt -94.38 46.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -94.52 43.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -136.2 -46.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 24.4 m-85 -91.21 -32.23 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 1.8 t80 -60.62 133.93 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.74 -70.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -161.87 -171.49 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 25.9 p -123.17 174.83 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -144.23 100.29 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 66' ' ' VAL . 8.3 p -71.68 105.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.551 HD12 ' OD1' ' A' ' 82' ' ' ASP . 18.3 mt -71.43 -58.3 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.99 -177.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 44' ' ' ILE . 63.9 m-85 -115.32 131.41 56.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -78.86 157.43 28.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.753 0.311 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -80.18 -179.08 6.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.775 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.43 HG23 ' CD1' ' A' ' 25' ' ' TYR . 86.1 m -152.47 113.06 4.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.06 117.43 9.13 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.656 HG11 ' CE1' ' A' ' 18' ' ' PHE . 61.9 t -80.68 136.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.551 ' OD1' HD12 ' A' ' 67' ' ' LEU . 1.6 t70 -128.14 74.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.557 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -97.88 176.13 5.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.98 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.3 tm? -133.51 106.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.833 ' SG ' HD13 ' A' ' 16' ' ' LEU . 57.9 m -65.43 78.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.655 ' ND2' HD12 ' A' ' 84' ' ' LEU . 20.3 m-80 -75.36 139.36 42.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.0 m-85 -120.72 174.06 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.49 165.41 16.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.77 -27.78 68.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.569 2.18 . . . . 0.0 112.282 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.89 -28.25 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.2 156.42 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.185 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.12 128.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.58 71.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 27.7 t -124.15 103.16 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.49 151.52 45.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -31.25 72.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -66.2 -29.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -57.5 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.707 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.4 mt -61.32 -27.87 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 104' ' ' LEU . 71.8 t80 -72.0 -49.42 37.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 104' ' ' LEU . 4.6 mt-10 -59.91 -53.04 62.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.45 -29.41 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 107' ' ' THR . 80.1 t80 -72.67 -46.09 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.787 HD11 ' CE2' ' A' ' 100' ' ' TYR . 3.0 mt -61.27 -45.03 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -54.65 44.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.465 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.1 ttp -64.57 -27.9 69.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.321 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.688 HG22 HD23 ' A' ' 113' ' ' LEU . 80.4 p -94.63 20.0 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 52.32 70.2 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.53 34.16 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.46 61.21 7.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.586 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.3 p -127.38 -44.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.091 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -139.18 111.05 7.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -95.19 96.73 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.015 HD12 ' HB1' ' A' ' 47' ' ' ALA . 53.3 mt 61.84 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 113' ' ' LEU . 14.1 t-20 -141.9 38.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -148.03 93.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -60.7 117.23 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.788 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.19 160.46 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.4 OUTLIER -81.05 160.36 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 -179.681 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.559 ' HG3' HD22 ' A' ' 104' ' ' LEU . 9.1 ttp180 -98.68 -33.09 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.206 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 t -88.67 -31.21 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.899 HG22 ' HB2' ' A' ' 18' ' ' PHE . 26.5 t -59.27 139.27 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 18.8 t80 -174.01 152.28 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 15' ' ' ASN . 9.7 p -145.24 126.57 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.53 177.53 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.794 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.793 0.33 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -144.74 155.24 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.707 ' HB3' HD11 ' A' ' 84' ' ' LEU . 4.8 m-70 -119.61 144.96 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -130.08 102.69 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.58 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -53.89 112.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.381 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.85 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.2 tp -97.45 129.08 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.038 0.447 . . . . 0.0 111.305 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.628 ' CD2' HD22 ' A' ' 118' ' ' LEU . 24.5 p90 -177.03 116.86 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.665 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -76.59 139.44 40.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.283 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 81' ' ' VAL . 20.7 mt -105.13 101.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 p -58.98 -28.25 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -73.13 -37.16 66.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' H ' HG22 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -87.92 109.56 28.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.29 174.19 13.23 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.425 2.083 . . . . 0.0 112.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 2.5 t80 -123.65 100.59 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -100.84 179.8 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -30.52 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HA ' HG21 ' A' ' 34' ' ' THR . 55.9 m-20 -59.05 -44.12 91.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 36' ' ' LYS . 35.5 mm -63.0 -17.96 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.43 -19.67 38.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.417 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -124.04 110.38 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.999 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.3 Cg_exo -54.16 -24.6 34.13 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.478 2.119 . . . . 0.0 112.348 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -56.09 -30.74 62.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 28' ' ' ASP . 51.0 p -76.89 165.32 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.5 m -82.98 -31.37 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.61 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -55.55 -30.03 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 64.6 t80 -75.26 -48.56 22.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -68.8 -41.19 79.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.83 -60.54 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.455 HG21 HD11 ' A' ' 23' ' ' LEU . 4.4 m -60.66 -46.25 91.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -57.67 -37.29 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -82.2 -29.64 31.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -53.57 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.002 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 69' ' ' PHE . 45.2 mt -61.32 -43.74 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -60.64 -30.39 69.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.15 -45.28 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.913 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -59.1 -40.23 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 30.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.78 -45.61 93.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -52.56 57.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -49.74 -34.56 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 64' ' ' CYS . 21.4 m-85 -62.86 -61.71 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -26.66 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -80.01 -29.7 39.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -60.78 165.99 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 t -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.5 pt -93.62 45.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -86.18 55.5 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -153.13 -47.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.645 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.3 m-85 -86.09 -30.52 22.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.795 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.9 t80 -61.49 119.76 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -84.48 -63.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.09 -179.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -118.07 164.55 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.4 108.04 6.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.639 ' O ' HG13 ' A' ' 66' ' ' VAL . 9.3 p -75.91 98.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' OD1' ' A' ' 82' ' ' ASP . 34.1 mt -58.83 -57.72 11.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.17 177.2 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 44' ' ' ILE . 61.9 m-85 -106.9 147.01 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -98.22 130.92 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.8 t30 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.699 0.285 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -122.55 -175.74 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.774 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.5 m -163.99 117.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 140.34 37.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.302 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 20' ' ' ILE . 23.7 t -112.25 87.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.395 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' HD12 ' A' ' 67' ' ' LEU . 2.0 t0 -84.66 85.16 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.452 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.603 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.73 -176.47 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.598 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.4 tm? -140.63 101.46 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.85 ' SG ' HD13 ' A' ' 16' ' ' LEU . 11.9 m -67.87 75.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.406 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.567 ' CG ' HD12 ' A' ' 84' ' ' LEU . 10.9 m-20 -69.83 155.59 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.168 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 99' ' ' ILE . 12.0 m-85 -139.72 153.26 47.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.65 167.0 40.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.11 -26.9 36.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.74 -29.65 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.645 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.46 166.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -170.33 126.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.52 44.84 6.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -85.2 89.96 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.8 148.69 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -59.29 -32.62 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 101' ' ' GLU . 18.7 t -59.78 -27.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -62.05 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.4 mt -67.93 -24.95 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.548 ' CE2' HD11 ' A' ' 104' ' ' LEU . 46.6 t80 -74.73 -42.7 57.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.643 ' HG3' HG12 ' A' ' 97' ' ' VAL . 2.7 mt-10 -75.29 -53.78 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.79 -29.97 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.548 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -60.69 -52.64 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.33 74.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.301 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.3 tpp -72.1 -28.91 63.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.78 HG22 HD23 ' A' ' 113' ' ' LEU . 49.2 p -92.4 14.76 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.45 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.6 m80 56.08 79.28 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.239 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 m120 57.9 28.83 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.324 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.405 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 56.85 40.96 90.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 p -120.02 -33.03 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.613 0.244 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.28 115.49 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.78 HD23 HG22 ' A' ' 107' ' ' THR . 2.1 tm? -99.54 96.56 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.619 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.913 HD12 ' HB1' ' A' ' 47' ' ' ALA . 26.8 mt 62.13 -80.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.02 29.96 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CE1' HD23 ' A' ' 23' ' ' LEU . 40.6 m-85 -142.32 107.7 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p -71.2 113.79 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 119' ' ' ASP . 4.1 pp -124.91 159.31 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.666 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -64.61 157.41 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.037 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -51.64 4.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.789 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.6 t -67.18 -31.18 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 18' ' ' PHE . 27.6 t -63.72 123.23 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.91 127.92 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 125' ' ' VAL . 12.2 p -121.3 109.72 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -115.11 156.29 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -134.84 139.21 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.658 ' HB3' HD11 ' A' ' 84' ' ' LEU . 12.0 m-70 -126.02 132.1 52.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.03 113.15 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.582 ' O ' HG23 ' A' ' 125' ' ' VAL . 2.3 m120 -56.61 115.62 2.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.779 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.9 tp -100.67 120.89 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.715 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -136.36 139.71 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.313 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' A' ' 118' ' ' LEU . 25.4 p90 -178.23 115.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.462 HG23 ' C ' ' A' ' 79' ' ' THR . 90.9 m -72.88 137.3 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.573 HD11 HG21 ' A' ' 81' ' ' VAL . 19.6 mt -102.5 101.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.4 p -55.37 -27.86 50.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -92.95 49.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -161.78 87.89 1.53 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.46 151.02 25.06 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.615 2.21 . . . . 0.0 112.26 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 35.4 t80 -108.47 114.66 28.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -126.01 176.26 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.71 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.12 -48.26 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.73 HD11 ' HG2' ' A' ' 36' ' ' LYS . 32.4 mm -68.09 -14.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.03 -23.43 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -110.81 108.18 57.87 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 15.3 Cg_exo -67.75 61.91 0.88 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.668 2.245 . . . . 0.0 112.216 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 t -143.89 -41.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.3 p -65.91 178.03 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -31.04 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.73 ' HG2' HD11 ' A' ' 29' ' ' ILE . 1.3 tttm -60.01 -37.37 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.421 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.8 t80 -72.82 -38.67 67.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.43 -30.35 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -55.91 8.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 m -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG3' HG11 ' A' ' 66' ' ' VAL . 16.2 tttt -57.79 -36.47 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -37.03 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -53.66 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.32 -43.98 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -32.06 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.767 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.56 -40.63 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.031 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -66.3 -33.17 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 46.1 mt -74.55 -31.83 62.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -58.24 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -60.98 -31.05 70.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.69 -41.18 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 11.5 m-85 -70.36 -33.23 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -95.49 -25.66 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.7 p -55.44 169.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -30.07 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.458 HD12 ' CE2' ' A' ' 87' ' ' PHE . 13.0 pt -99.72 48.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 57.1 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 p -144.9 -47.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.563 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.8 m-85 -106.82 24.37 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -110.33 106.06 15.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.842 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.9 t -67.45 -69.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.52 -171.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.72 139.84 47.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -112.73 91.98 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.794 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 66' ' ' VAL . 10.4 p -61.54 109.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.8 -61.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.87 174.21 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.89 150.8 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -118.2 161.68 19.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.408 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . 21.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.1 t30 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.618 0.247 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -135.79 164.56 27.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' HG23 ' A' ' 19' ' ' THR . 45.4 m -146.85 129.41 15.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.42 116.58 4.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 20' ' ' ILE . 37.4 t -83.86 127.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -115.88 79.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.435 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.459 ' OG ' HD23 ' A' ' 16' ' ' LEU . 3.5 p -103.64 172.52 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.7 tm? -128.47 108.41 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.813 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' HD13 ' A' ' 16' ' ' LEU . 2.3 m -66.18 79.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.536 ' CG ' HD12 ' A' ' 84' ' ' LEU . 29.5 m-80 -73.23 145.51 46.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 99' ' ' ILE . 11.1 m-85 -133.78 158.45 43.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -72.91 146.39 87.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 88' ' ' SER . 25.7 Cg_exo -61.82 -25.86 78.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.559 2.173 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.34 -25.98 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -85.49 161.15 19.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -164.47 31.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 30.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.13 137.33 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.03 163.68 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.701 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -59.82 -34.02 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.38 -40.12 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.82 80.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.608 HD13 ' CE1' ' A' ' 87' ' ' PHE . 13.8 mt -71.08 -29.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.503 ' HE1' HG12 ' A' ' 123' ' ' VAL . 81.0 t80 -76.17 -44.11 39.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.44 -53.95 47.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.037 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 107' ' ' THR . 41.3 t80 -71.27 -34.13 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 100' ' ' TYR . 24.2 mt -64.25 -45.88 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -54.56 -59.78 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.404 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpp -59.12 -27.88 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.267 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.67 HG22 HD23 ' A' ' 113' ' ' LEU . 69.5 p -93.44 16.23 13.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.321 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.1 m80 53.78 67.05 1.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.5 t30 63.56 35.61 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.79 58.04 16.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.9 p -142.09 -43.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.273 . . . . 0.0 111.33 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -127.02 100.58 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -82.96 95.2 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.031 HD12 ' HB1' ' A' ' 47' ' ' ALA . 82.5 mt 59.96 -82.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -133.92 26.17 3.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.56 103.48 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.5 p -71.32 113.42 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -124.53 159.98 29.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.744 ' O ' HD12 ' A' ' 118' ' ' LEU . 5.3 t0 -59.78 171.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -111.22 -53.18 2.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -58.71 -34.25 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 p -65.94 -31.25 72.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.503 HG12 ' HE1' ' A' ' 100' ' ' TYR . 17.9 t -62.19 133.78 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -168.7 158.15 8.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.701 HG13 ' HB2' ' A' ' 96' ' ' ARG . 9.7 p -152.04 130.08 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.48 170.58 11.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.765 0.317 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.8 136.38 11.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.596 ' HB3' HD11 ' A' ' 84' ' ' LEU . 8.6 m80 -128.24 109.53 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.18 116.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.737 ' O ' HG23 ' A' ' 125' ' ' VAL . 0.5 OUTLIER -58.45 120.14 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.829 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.6 tp -98.61 127.61 44.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -141.69 137.13 31.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 0.0 111.601 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.756 ' CD2' HD22 ' A' ' 118' ' ' LEU . 29.0 p90 -177.69 113.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.512 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 79' ' ' THR . 93.4 m -71.93 140.54 49.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 81' ' ' VAL . 29.4 mt -106.96 140.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -102.15 38.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -151.63 36.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.693 ' HG ' HG21 ' A' ' 40' ' ' THR . 0.5 OUTLIER -152.61 100.54 2.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.76 140.58 47.01 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.35 2.033 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.75 109.37 22.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.92 -169.6 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.27 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.722 ' HA ' HG21 ' A' ' 34' ' ' THR . 5.4 m-20 -59.88 -44.72 94.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.635 HD11 ' HG2' ' A' ' 36' ' ' LYS . 36.2 mm -66.54 -13.94 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.41 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.26 -22.09 22.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.01 107.84 47.28 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.2 Cg_exo -52.94 -26.62 32.19 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.473 2.115 . . . . 0.0 112.41 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -58.38 -30.03 66.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.722 HG21 ' HA ' ' A' ' 28' ' ' ASP . 10.3 p -73.17 165.9 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.535 HG22 ' HG3' ' A' ' 39' ' ' GLN . 64.5 m -83.05 -34.33 26.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -54.09 -32.87 56.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE1' ' HD2' ' A' ' 41' ' ' LYS . 59.7 t80 -74.28 -55.87 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.535 ' HG3' HG22 ' A' ' 35' ' ' THR . 0.1 OUTLIER -53.64 -59.85 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.345 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.693 HG21 ' HG ' ' A' ' 23' ' ' LEU . 7.2 m -66.59 -41.28 88.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.68 ' HG2' HG11 ' A' ' 66' ' ' VAL . 16.3 tttt -57.77 -39.19 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.237 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -29.65 27.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.148 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.038 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 69' ' ' PHE . 46.1 mt -64.05 -47.24 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -46.44 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.24 -41.66 93.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.715 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.022 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -64.79 -41.29 95.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 81.6 mt -70.61 -29.35 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -59.59 4.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -61.19 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' HE2' ' A' ' 106' ' ' MET . 4.2 tt -58.83 -50.32 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 61' ' ' PHE . 8.8 m-85 -64.24 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -72.56 -28.85 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -113.6 31.05 6.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.1 p -108.08 165.25 11.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -59.16 -32.2 69.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.8 pt -107.33 52.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.16 28.17 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -116.3 -31.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 91' ' ' ALA . 44.1 m-85 -109.04 -30.06 8.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.057 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 t80 -59.06 127.55 32.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -64.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -173.78 -169.33 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 28.2 p -122.9 146.35 47.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -124.06 103.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.68 HG11 ' HG2' ' A' ' 41' ' ' LYS . 8.9 p -72.71 105.06 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.63 -55.81 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.79 179.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 44' ' ' ILE . 66.0 m-85 -113.4 127.5 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -97.17 160.12 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -69.96 161.96 28.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' THR . 68.2 m -142.8 143.52 32.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.89 130.9 10.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 20' ' ' ILE . 33.9 t -97.03 97.17 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.7 81.08 5.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.698 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.428 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -99.79 -178.39 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.8 tm? -137.81 112.42 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.829 ' SG ' HD13 ' A' ' 16' ' ' LEU . 63.6 m -70.05 78.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.435 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -66.47 141.19 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 99' ' ' ILE . 5.9 m-85 -128.82 158.76 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.679 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.1 164.47 36.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.02 -32.23 76.07 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.535 2.157 . . . . 0.0 112.165 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.35 -21.74 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . . . -49.34 128.77 17.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.462 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -138.7 134.49 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.34 75.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 t -130.92 151.97 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.7 158.43 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.95 -30.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.66 -62.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.712 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.7 mt -62.28 -23.64 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.557 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.7 t80 -72.99 -44.71 60.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.14 -45.84 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -29.58 66.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 107' ' ' THR . 43.7 t80 -76.93 -46.56 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.007 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 100' ' ' TYR . 19.1 mt -63.91 -36.3 83.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -66.01 -28.15 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.205 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.45 ' HE2' ' HG ' ' A' ' 51' ' ' LEU . 2.8 tpp -93.98 -26.1 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.225 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.546 HG22 HD23 ' A' ' 113' ' ' LEU . 61.2 p -96.57 25.58 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.302 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 53.23 66.39 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 111.183 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 61.25 34.63 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.468 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 57.1 44.32 93.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.621 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 p -115.24 -30.01 6.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.619 ' OE1' HG23 ' A' ' 117' ' ' THR . 0.6 OUTLIER -145.59 127.73 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.085 -179.802 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 113' ' ' LEU . 3.2 tm? -104.71 89.08 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.364 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.022 HD12 ' HB1' ' A' ' 47' ' ' ALA . 25.4 mt 61.86 -79.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.81 30.63 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -138.95 99.41 3.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.01 117.37 7.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.756 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.0 pp -134.84 159.17 42.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.999 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -75.45 163.59 27.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 -179.648 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.44 ' HG3' HD22 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -97.0 -45.46 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.765 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.48 -35.85 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.2 p -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 18' ' ' PHE . 30.3 t -59.98 144.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 11.4 t80 -174.03 142.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 15' ' ' ASN . 12.8 p -141.77 134.8 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.04 -169.26 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.884 0.373 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.88 156.57 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.534 ' HB3' HD11 ' A' ' 84' ' ' LEU . 15.5 m-70 -128.44 130.56 47.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.16 109.7 14.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.1 t-20 -54.65 110.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.059 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.755 HD13 ' SG ' ' A' ' 85' ' ' CYS . 21.4 tp -95.2 130.48 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -151.15 144.7 24.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.961 0.41 . . . . 0.0 111.3 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.755 ' CD2' HD22 ' A' ' 118' ' ' LEU . 25.6 p90 -178.37 120.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.73 131.25 44.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 81' ' ' VAL . 30.6 mt -101.84 103.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.047 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -60.54 -29.99 69.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -88.79 53.58 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.63 100.07 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 142.91 46.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.487 2.125 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -96.16 93.34 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -97.15 -175.37 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -70.43 -31.22 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -61.64 -45.86 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.451 HD11 ' HG2' ' A' ' 36' ' ' LYS . 44.4 mm -58.3 -23.43 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.47 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.205 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.02 115.84 56.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 32.3 Cg_exo -58.3 -18.42 37.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.577 2.184 . . . . 0.0 112.623 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -95.35 36.97 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.7 p -116.78 171.24 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -79.65 -48.46 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -58.98 -29.49 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 34.4 t80 -79.5 -55.36 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.43 -32.56 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -69.08 -56.98 6.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.511 HG22 HD11 ' A' ' 44' ' ' ILE . 15.4 m -63.55 -36.97 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -62.6 -41.49 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.14 68.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -45.12 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.511 HD11 HG22 ' A' ' 40' ' ' THR . 11.5 mt -69.25 -49.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.12 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -79.17 -42.16 26.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.66 -40.09 92.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 91.6 mt -70.88 -30.59 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -65.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -60.0 -28.83 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.96 -43.2 91.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 13.2 m-85 -69.47 -45.76 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -59.63 -26.69 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -112.24 34.11 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p -109.03 -176.53 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -78.22 -29.89 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.411 HD12 ' CE2' ' A' ' 87' ' ' PHE . 27.3 pt -109.34 53.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -93.22 30.96 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.49 -35.41 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.574 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 30.4 m-85 -106.52 -24.82 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.7 t80 -57.2 144.36 35.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -109.01 -71.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -171.25 175.41 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.31 170.71 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -149.2 82.21 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.7 p -63.44 97.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.9 165.14 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -85.75 169.19 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -135.53 123.27 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -58.33 158.79 6.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.9 m -133.31 131.03 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.16 128.08 8.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 20' ' ' ILE . 45.9 t -94.12 137.39 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.1 79.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.426 ' OG ' HD23 ' A' ' 16' ' ' LEU . 3.9 p -106.08 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.086 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 85' ' ' CYS . 1.1 tm? -131.44 122.38 26.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.755 ' SG ' HD13 ' A' ' 16' ' ' LEU . 4.6 m -82.63 76.8 9.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.625 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.421 ' CG ' HD12 ' A' ' 84' ' ' LEU . 55.9 m-20 -71.91 148.44 46.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.011 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CE1' HD13 ' A' ' 99' ' ' ILE . 10.9 m-85 -133.73 165.65 24.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.87 151.22 86.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.65 -22.47 50.5 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.563 2.175 . . . . 0.0 112.42 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.42 -34.61 69.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -64.81 159.01 23.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.25 31.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.54 37.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -89.6 143.3 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.23 152.28 40.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -59.89 -31.92 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.444 HG12 ' HG3' ' A' ' 101' ' ' GLU . 28.3 t -71.1 -32.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.06 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.541 HD13 ' CE1' ' A' ' 87' ' ' PHE . 13.1 mt -75.4 -30.3 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HE1' HG12 ' A' ' 123' ' ' VAL . 55.5 t80 -74.16 -39.14 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.444 ' HG3' HG12 ' A' ' 97' ' ' VAL . 6.3 mt-10 -72.37 -48.0 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -58.36 -31.45 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.09 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.78 ' CE2' HG21 ' A' ' 107' ' ' THR . 64.4 t80 -77.09 -29.62 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 100' ' ' TYR . 57.1 mt -72.36 -26.47 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -32.03 65.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.38 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.0 tpp -94.04 -24.2 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.517 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.783 HG22 HD23 ' A' ' 113' ' ' LEU . 71.0 p -93.76 19.09 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.433 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.0 m80 52.96 68.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.9 0.381 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 61.2 28.45 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.989 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.83 40.59 95.63 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.589 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -118.84 -33.43 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.659 0.266 . . . . 0.0 111.272 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -140.76 117.06 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.185 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.783 HD23 HG22 ' A' ' 107' ' ' THR . 1.9 tm? -90.87 86.43 6.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.613 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.673 HD12 ' HB1' ' A' ' 47' ' ' ALA . 36.0 mt 60.98 -80.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 113' ' ' LEU . 10.4 t30 -129.21 30.49 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.56 94.49 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.7 p -64.98 114.7 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.755 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.9 pp -131.94 159.86 37.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -69.9 167.42 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.008 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -104.62 -41.91 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.783 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -25.66 67.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 p -74.92 -34.56 62.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 18' ' ' PHE . 22.5 t -59.57 139.07 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -167.6 132.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.34 131.07 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.08 178.46 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.701 0.286 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -142.71 161.66 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 84' ' ' LEU . 12.8 m-70 -128.79 117.53 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.433 ' O ' HD13 ' A' ' 84' ' ' LEU . 33.3 m-85 -108.82 108.29 19.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.767 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.7 t30 -54.27 110.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.309 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.784 HD13 ' SG ' ' A' ' 85' ' ' CYS . 19.1 tp -96.12 125.3 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.405 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -141.45 132.46 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 111.64 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.87 ' HB2' HG22 ' A' ' 123' ' ' VAL . 23.9 p90 -168.96 112.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 m -70.34 137.18 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.571 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 81' ' ' VAL . 17.5 mt -110.8 111.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.876 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 p -70.7 -25.21 62.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -70.08 -18.34 63.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 HG23 ' A' ' 40' ' ' THR . 0.4 OUTLIER -99.98 99.37 9.06 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 111.012 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.28 123.94 9.56 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.571 2.181 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.29 93.89 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.25 -175.4 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.85 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.82 -39.29 93.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.764 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.532 HD11 ' HG3' ' A' ' 36' ' ' LYS . 33.5 mm -67.31 -14.36 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.384 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.25 30.47 2.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -169.46 98.69 0.49 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.805 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.32 -25.76 10.5 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.53 2.153 . . . . 0.0 112.502 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -57.41 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -79.62 166.72 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -83.08 -29.25 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.532 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.8 tptm -57.67 -32.39 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -76.91 -41.8 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.57 -35.48 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -69.93 -49.74 48.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.653 HG23 HD21 ' A' ' 23' ' ' LEU . 62.5 m -67.53 -31.1 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -73.13 -33.38 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.51 -37.87 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.8 t -59.78 -52.31 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.59 -46.66 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.23 -31.22 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -72.47 -35.16 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.004 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -71.65 -37.78 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 mt -67.7 -37.04 81.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.75 -58.54 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.73 -31.33 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' A' ' 106' ' ' MET . 6.6 tt -60.17 -42.56 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 6.4 m-85 -68.57 -39.34 81.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -25.63 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -90.51 -28.05 18.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 p -63.09 173.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 t -75.12 -24.19 58.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.7 pt -94.24 47.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -89.91 22.98 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.42 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.65 -30.45 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.284 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 32.8 m-85 -104.78 -32.2 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.29 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.8 t80 -56.35 140.93 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.028 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.6 t -106.84 -71.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 173.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.5 132.63 55.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.84 103.55 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 66' ' ' VAL . 8.5 p -71.43 104.2 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.84 -66.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.18 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.36 114.39 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.08 144.44 42.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.822 0.344 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -84.39 170.94 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.4 m -158.73 114.67 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.08 114.03 4.37 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 20' ' ' ILE . 27.5 t -84.59 97.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.84 86.09 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.59 -175.89 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -138.06 111.83 8.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.784 ' SG ' HD13 ' A' ' 16' ' ' LEU . 3.9 m -70.18 70.71 0.39 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.33 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -70.73 151.24 45.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.249 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 99' ' ' ILE . 9.3 m-85 -125.53 179.09 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.13 165.74 13.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.784 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.67 -28.2 80.6 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.507 2.138 . . . . 0.0 112.139 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.85 -28.53 64.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . . . -58.85 154.29 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.02 151.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.4 29.69 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.447 HG11 ' CZ ' ' A' ' 87' ' ' PHE . 32.7 t -84.1 125.35 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.32 171.85 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -74.51 -46.32 40.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 101' ' ' GLU . 19.5 t -58.91 -27.44 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.314 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -62.67 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.318 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.758 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.7 mt -69.3 -24.63 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.852 ' CE2' HD11 ' A' ' 104' ' ' LEU . 51.8 t80 -74.07 -40.82 62.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.643 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.0 mt-10 -71.55 -52.47 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -28.93 60.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.64 -46.08 33.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.852 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.2 mt -57.57 -50.43 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -54.84 -53.2 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 4.6 tpp -64.2 -26.92 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.047 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.697 HG22 HD23 ' A' ' 113' ' ' LEU . 51.4 p -96.35 23.1 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.7 t60 54.11 69.85 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.7 m120 59.73 35.16 22.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.587 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 58.61 55.67 29.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.0 p -133.58 -45.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -132.11 114.87 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.8 tm? -90.46 96.05 10.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.004 HD12 ' HB1' ' A' ' 47' ' ' ALA . 81.1 mt 62.19 -79.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 2.2 m-80 -138.85 31.87 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.0 103.87 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -68.56 118.62 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.0 pp -129.29 159.76 35.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.655 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -66.26 163.31 18.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.064 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.66 -38.73 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.787 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -69.73 -18.58 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -83.41 -32.63 26.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.87 HG22 ' HB2' ' A' ' 18' ' ' PHE . 26.0 t -59.14 136.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -174.1 127.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 125' ' ' VAL . 12.4 p -114.64 111.61 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -114.4 163.18 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.773 0.321 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.93 157.9 41.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.857 ' HB3' HD11 ' A' ' 84' ' ' LEU . 40.2 m-70 -142.38 158.61 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.539 ' HB3' HG22 ' A' ' 125' ' ' VAL . 78.3 m-85 -145.8 118.92 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 118.17 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.425 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.0 tp -97.55 121.94 40.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -139.65 138.03 35.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.993 0.425 . . . . 0.0 111.361 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.874 ' HB2' HG22 ' A' ' 123' ' ' VAL . 15.6 p90 -177.83 113.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.62 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.2 m -69.2 135.43 50.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.191 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.539 HD11 HG21 ' A' ' 81' ' ' VAL . 27.9 mt -104.09 98.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 p -53.77 -26.54 24.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.11 49.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.975 0.417 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -163.82 91.04 1.11 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.728 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.18 147.58 88.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.529 2.153 . . . . 0.0 112.384 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -87.57 130.73 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.63 161.92 34.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.23 68.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -44.35 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 36' ' ' LYS . 33.8 mm -66.8 -16.79 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.432 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.26 -19.88 42.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.411 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.14 107.17 58.64 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.435 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 14.7 Cg_exo -67.7 64.46 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.659 2.239 . . . . 0.0 112.131 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -162.34 -37.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.4 p -55.66 -177.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 39' ' ' GLN . 4.5 m -82.95 -43.36 16.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.538 ' HG3' HD11 ' A' ' 29' ' ' ILE . 13.1 tptm -56.62 -38.92 72.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.435 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 22.8 t80 -66.53 -58.7 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -60.52 -34.12 73.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.485 ' HG3' HG22 ' A' ' 35' ' ' THR . 14.9 mt-30 -73.31 -57.34 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -62.08 -31.63 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HE2' HG13 ' A' ' 66' ' ' VAL . 42.2 tttt -70.33 -55.63 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -31.31 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -59.7 -48.1 82.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.38 -41.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -31.54 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -67.87 -43.92 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.107 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.32 -30.46 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 78.9 mt -72.12 -41.22 67.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -35.19 74.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -78.2 -29.72 48.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 103' ' ' PHE . 7.0 tt -66.31 -36.95 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.5 m-85 -70.47 -45.7 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -26.79 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -96.41 -27.33 14.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.7 p -57.43 155.77 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 0.0 111.018 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -28.42 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.425 HG23 ' OE2' ' A' ' 102' ' ' GLU . 20.9 pt -93.6 46.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -88.11 52.66 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -142.88 -47.43 0.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.691 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 86.0 m-85 -94.94 -30.55 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.5 t80 -64.91 123.5 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.35 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.79 179.82 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.85 175.83 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -144.85 99.11 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.8 p -70.47 96.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.61 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.09 -168.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -125.12 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -94.89 154.26 17.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.698 0.285 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.46 -173.79 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.939 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.5 m -163.62 121.25 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.8 111.09 3.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.413 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 20' ' ' ILE . 40.5 t -73.62 130.38 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 111.21 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.23 76.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.605 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.595 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -101.35 -177.88 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.081 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 13' ' ' HIS . 3.0 tm? -140.19 112.33 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.826 ' SG ' HD13 ' A' ' 16' ' ' LEU . 67.8 m -69.47 81.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.723 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.452 ' CG ' HD12 ' A' ' 84' ' ' LEU . 29.5 m-20 -74.66 142.9 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.443 ' CE1' HD11 ' A' ' 99' ' ' ILE . 7.7 m-85 -126.96 160.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 166.53 38.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -27.17 42.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.149 . . . . 0.0 112.412 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.0 -31.19 71.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -59.09 161.18 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.64 -42.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.59 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.34 153.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.19 156.71 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -59.7 -44.26 93.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.17 -29.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 -58.92 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.757 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.6 mt -63.5 -28.37 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' HD11 ' A' ' 104' ' ' LEU . 73.9 t80 -71.26 -45.69 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.22 -50.57 53.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE2' HG23 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.46 -29.62 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 107' ' ' THR . 81.3 t80 -83.29 -32.43 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.694 HD11 ' CE2' ' A' ' 100' ' ' TYR . 14.2 mt -69.34 -46.11 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.47 -34.94 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpp -83.01 -24.74 32.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.862 HG22 HD23 ' A' ' 113' ' ' LEU . 77.9 p -95.12 29.24 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.175 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 53.26 61.08 3.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 61.64 26.95 16.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.09 37.57 49.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.1 p -116.98 -34.67 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.07 125.37 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.862 HD23 HG22 ' A' ' 107' ' ' THR . 2.5 tm? -97.79 98.98 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.107 HD12 ' HB1' ' A' ' 47' ' ' ALA . 29.4 mt 61.58 -80.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.958 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -135.46 43.46 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -154.31 105.79 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.0 p -71.01 113.28 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.737 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.5 pp -123.01 160.24 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.732 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.3 t70 -58.65 175.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -109.67 -64.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -56.41 -24.7 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.6 t -66.1 -40.96 91.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.874 HG22 ' HB2' ' A' ' 18' ' ' PHE . 30.6 t -60.92 135.88 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -174.0 136.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -128.5 137.81 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -179.04 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.39 142.43 34.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 10.4 m170 -121.12 111.28 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 127' ' ' SER . 35.2 m-85 -104.95 126.76 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.614 ' HA ' HD22 ' A' ' 84' ' ' LEU . 9.5 m120 -68.61 111.36 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.83 HD13 ' SG ' ' A' ' 85' ' ' CYS . 27.8 tp -91.27 135.86 33.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.684 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -154.11 128.32 9.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.916 0.388 . . . . 0.0 111.339 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.3 p90 -165.97 113.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.36 134.53 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.182 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.747 HD11 HG21 ' A' ' 81' ' ' VAL . 16.1 mt -105.97 102.74 14.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -57.93 -30.04 65.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -71.18 -50.16 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 HG21 ' A' ' 40' ' ' THR . 0.4 OUTLIER -73.12 112.45 15.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.2 -178.97 4.8 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.278 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.674 ' HD2' HG23 ' A' ' 79' ' ' THR . 1.5 t80 -137.36 115.1 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -121.68 -175.78 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -60.63 -31.94 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.495 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.2 m-20 -61.6 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.445 HD11 ' HG3' ' A' ' 36' ' ' LYS . 34.1 mm -61.45 -16.33 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.53 -24.7 25.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.646 0.26 . . . . 0.0 111.325 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -113.8 115.66 46.01 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 39.7 Cg_exo -60.54 -19.16 58.32 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 112.643 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -67.3 -32.06 72.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.357 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' ' 28' ' ' ASP . 49.8 p -69.56 167.17 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.09 -33.75 26.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -56.31 -30.24 62.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 36.1 t80 -76.34 -56.52 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -60.2 -31.27 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.37 -60.65 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.623 HG21 HD11 ' A' ' 23' ' ' LEU . 8.5 m -59.54 -30.4 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 59.9 tttt -69.9 -40.98 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -81.32 -29.92 34.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -50.32 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.85 -42.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -30.88 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.17 -42.13 60.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.05 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -64.27 -49.89 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 84.6 mt -60.04 -29.98 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.008 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.4 -61.49 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -57.82 -29.92 65.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.577 HD12 HD21 ' A' ' 113' ' ' LEU . 4.8 tt -61.76 -37.92 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 7.9 m-85 -67.85 -39.73 83.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.99 -12.26 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -104.31 -29.71 10.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.79 0.329 . . . . 0.0 111.003 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -59.0 153.54 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.1 t -58.65 -26.72 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.31 47.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 26.97 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -122.16 24.09 9.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 110.766 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 33.5 m-85 -162.28 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -52.77 114.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.059 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.61 -64.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.54 -176.01 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 45.2 t -124.33 156.49 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -128.09 105.12 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 66' ' ' VAL . 10.7 p -74.61 112.11 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 mt -71.4 -67.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -163.98 -173.91 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.15 125.74 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 112.6 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 14.8 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -86.27 166.13 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 25' ' ' TYR . 91.4 m -163.97 115.37 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.2 110.01 2.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.324 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 20' ' ' ILE . 46.9 t -86.49 102.78 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 111.328 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -87.21 87.83 7.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.366 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.545 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.78 -174.97 2.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.259 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.614 HD22 ' HA ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -141.24 108.08 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.83 ' SG ' HD13 ' A' ' 16' ' ' LEU . 51.0 m -70.32 91.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 48.3 m-20 -89.13 144.6 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 111.376 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 14.9 m-85 -129.56 172.13 11.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.51 166.55 35.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 -28.16 18.73 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.534 2.156 . . . . 0.0 112.271 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.23 -31.21 68.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -78.85 136.98 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.87 32.23 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.86 44.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 22.0 t -108.63 103.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.25 158.34 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.429 ' HB2' HG13 ' A' ' 125' ' ' VAL . 12.8 ptt85 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.419 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -68.54 -29.82 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.6 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.767 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.9 mt -65.99 -25.87 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.406 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 48.6 t80 -72.79 -43.76 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG3' HG12 ' A' ' 97' ' ' VAL . 4.6 mt-10 -74.23 -35.18 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -53.08 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 107' ' ' THR . 54.0 t80 -58.76 -28.45 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 120' ' ' ARG . 68.7 mt -85.66 -22.23 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.276 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -30.75 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.194 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.431 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.3 ttp -89.52 -20.1 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.38 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.653 HG22 HD23 ' A' ' 113' ' ' LEU . 67.7 p -95.64 31.42 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.301 . . . . 0.0 111.167 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 111' ' ' THR . 0.3 OUTLIER 53.79 53.78 10.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.62 38.32 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.09 38.06 94.9 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.412 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 108' ' ' HIS . 81.1 p -109.02 -42.4 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.702 0.287 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 52.4 tt0 -147.14 118.55 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.8 tm? -91.35 99.34 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.442 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.05 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.4 mt 62.28 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.99 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 113' ' ' LEU . 47.5 m-80 -138.91 38.83 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -150.17 119.26 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 75.1 p -80.05 119.23 22.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.701 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.8 pp -135.51 160.09 39.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.5 OUTLIER -75.7 144.26 41.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.677 ' HG3' HD22 ' A' ' 104' ' ' LEU . 4.3 ttt180 -88.94 -41.85 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -32.18 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.6 p -71.48 -26.73 62.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' A' ' 18' ' ' PHE . 19.2 t -59.17 150.54 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.089 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -174.12 141.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 125' ' ' VAL . 14.7 p -138.72 122.58 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.236 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.44 162.55 14.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.2 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.65 157.44 44.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.654 ' HB3' HD11 ' A' ' 84' ' ' LEU . 27.3 m80 -137.94 112.54 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.761 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' O ' HD13 ' A' ' 84' ' ' LEU . 27.9 m-85 -106.34 117.36 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.724 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.3 m120 -59.0 108.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.577 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.772 HD13 ' SG ' ' A' ' 85' ' ' CYS . 17.3 tp -87.62 129.9 34.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -148.4 141.05 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.0 111.52 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.834 ' HB2' HG22 ' A' ' 123' ' ' VAL . 34.5 p90 -178.81 113.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -69.93 131.11 43.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 mt -94.07 101.69 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.7 p -55.35 -27.78 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.34 58.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -162.29 89.35 1.39 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.92 157.57 10.29 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.476 2.117 . . . . 0.0 112.307 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -116.01 82.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 p -92.64 174.56 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -60.0 -28.95 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.784 ' HA ' HG21 ' A' ' 34' ' ' THR . 88.0 m-20 -58.21 -50.07 74.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.06 -29.12 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -24.43 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -130.12 117.58 18.1 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.64 -21.8 33.16 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.416 2.078 . . . . 0.0 112.433 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 t -51.84 -29.54 19.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.784 HG21 ' HA ' ' A' ' 28' ' ' ASP . 42.3 p -82.19 165.26 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -81.52 -29.18 33.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -56.74 -28.25 60.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -84.71 -46.25 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.13 -30.88 71.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -55.5 7.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.692 HG22 HD11 ' A' ' 44' ' ' ILE . 26.0 m -59.08 -38.63 79.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.82 -51.26 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.46 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.433 ' HG ' ' HE1' ' A' ' 116' ' ' PHE . 13.3 t -59.55 -48.5 81.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.692 HD11 HG22 ' A' ' 40' ' ' THR . 14.5 mt -70.6 -51.7 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.25 -32.56 66.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.22 -38.55 56.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.934 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.74 -36.09 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 63.3 mt -72.55 -31.07 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -59.05 -61.88 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -58.53 -30.15 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 51' ' ' LEU . 6.7 tt -65.55 -30.88 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 m-85 -72.61 -39.3 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -73.32 -19.14 61.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -107.23 34.66 3.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.82 169.16 15.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 pt -98.57 49.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -93.52 38.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 t -135.9 -46.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.484 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 33.5 m-85 -85.53 -31.01 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -64.68 123.61 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 t -88.81 -63.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.45 -177.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.46 156.28 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -135.67 93.17 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.602 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.8 p -65.69 103.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.49 -66.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.97 -174.26 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.511 ' HB3' HG23 ' A' ' 79' ' ' THR . 59.5 m-85 -112.32 116.51 30.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -77.75 144.49 37.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.664 0.268 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.4 -178.12 3.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 69' ' ' PHE . 68.0 m -162.25 103.88 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.71 98.18 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.49 132.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.394 . . . . 0.0 111.051 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.41 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.433 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.426 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -105.48 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.03 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.724 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -134.48 114.01 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.849 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.772 ' SG ' HD13 ' A' ' 16' ' ' LEU . 7.8 m -65.27 81.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.393 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.41 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 17.5 m-20 -70.83 128.14 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CE1' HD11 ' A' ' 99' ' ' ILE . 5.8 m-85 -116.77 150.26 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.21 165.67 45.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.29 -33.71 89.09 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.466 2.111 . . . . 0.0 112.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.7 -27.24 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.31 158.41 5.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -176.66 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 55.64 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.528 HG21 ' CE2' ' A' ' 87' ' ' PHE . 5.3 t -139.11 135.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.41 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 m-20 -119.41 -62.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.015 0.436 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 179.93 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.82 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.566 HG12 ' HG3' ' A' ' 101' ' ' GLU . 26.7 t -61.4 -26.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -62.99 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.621 HD11 ' CE1' ' A' ' 87' ' ' PHE . 11.0 mt -64.71 -23.9 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.651 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 50.3 t80 -76.92 -45.32 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' HG12 ' A' ' 97' ' ' VAL . 2.3 mt-10 -73.49 -44.96 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.44 -37.51 75.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.77 ' CZ ' HG21 ' A' ' 107' ' ' THR . 75.5 t80 -73.53 -46.13 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.78 HD23 ' HA3' ' A' ' 110' ' ' GLY . 9.9 mt -60.01 -34.36 73.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -71.18 -29.7 65.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.6 tpp -91.18 -25.53 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.261 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 p -95.25 20.79 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.255 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.79 77.86 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.13 27.01 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.78 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 59.12 50.11 71.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.4 p -125.16 -38.84 2.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.157 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.712 ' HG3' HG22 ' A' ' 117' ' ' THR . 5.1 tt0 -129.62 104.27 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.2 tm? -82.51 94.61 7.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.934 HD12 ' HB1' ' A' ' 47' ' ' ALA . 24.5 mt 62.01 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 6.9 m120 -120.29 -38.51 2.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.433 ' HE1' ' HG ' ' A' ' 43' ' ' SER . 39.8 m-85 -76.74 127.28 32.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.712 HG22 ' HG3' ' A' ' 112' ' ' GLN . 81.9 p -90.98 118.32 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.734 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.77 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -128.1 160.44 31.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.183 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 118' ' ' LEU . 5.2 t0 -64.79 178.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -41.98 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.3 70.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.9 t -75.87 -30.95 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.834 HG22 ' HB2' ' A' ' 18' ' ' PHE . 28.3 t -64.34 132.28 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 125' ' ' VAL . 49.0 t80 -174.02 163.3 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -150.25 129.5 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -119.37 178.51 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.572 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -152.11 135.66 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.404 ' HB3' HD11 ' A' ' 84' ' ' LEU . 9.9 m-70 -126.61 114.39 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 43.9 m-85 -110.35 122.16 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.718 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.2 t-20 -63.12 122.57 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.792 HD13 ' SG ' ' A' ' 85' ' ' CYS . 22.9 tp -106.13 113.38 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -135.9 144.6 45.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.017 0.437 . . . . 0.0 111.346 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.775 ' CD2' HD22 ' A' ' 118' ' ' LEU . 24.6 p90 -178.38 121.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.6 m -74.24 135.77 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 22' ' ' ASN . 18.2 mt -101.84 142.44 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -108.05 23.03 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.77 ' H ' HG22 ' A' ' 20' ' ' ILE . 1.3 t30 -119.47 -30.65 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.15 105.75 15.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.17 114.01 3.86 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.412 2.075 . . . . 0.0 112.311 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 24.6 t80 -62.06 123.14 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.44 178.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.67 -30.95 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.64 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.0 OUTLIER -62.17 -48.33 80.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' A' ' 36' ' ' LYS . 31.7 mm -69.83 -12.78 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.06 -17.59 34.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.639 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 mt-30 -126.66 117.61 22.7 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 14.3 Cg_exo -68.12 62.55 1.02 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.589 2.192 . . . . 0.0 112.131 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -148.31 -40.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.64 HG21 ' HA ' ' A' ' 28' ' ' ASP . 78.3 p -61.17 177.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.6 m -83.06 -38.52 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -58.55 -38.85 78.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 33.2 t80 -59.82 -48.83 80.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -73.5 -35.77 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -57.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.435 HG22 ' CZ ' ' A' ' 69' ' ' PHE . 62.6 m -62.2 -40.88 97.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HG2' HG11 ' A' ' 66' ' ' VAL . 63.7 tttt -58.86 -37.28 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.17 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -47.02 87.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mt -71.08 -44.89 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.35 -32.2 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -76.05 -40.76 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.0 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -68.39 -38.98 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 88.1 mt -71.59 -31.85 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -58.46 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.61 -31.47 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' ' HE3' ' A' ' 106' ' ' MET . 3.9 tt -60.8 -35.5 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 10.3 m-85 -72.69 -36.88 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -29.06 63.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -92.42 -25.32 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.488 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 71.3 p -56.16 170.33 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 m -74.68 -29.65 61.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.411 HD12 ' CZ ' ' A' ' 87' ' ' PHE . 20.0 pt -93.81 45.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -89.46 51.27 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.46 -45.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.508 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 36.8 m-85 -111.05 24.04 13.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 52' ' ' PHE . 3.1 t80 -105.75 123.97 48.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 -74.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -169.75 -176.04 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.37 -179.05 3.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.94 88.04 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.71 HG11 ' HG2' ' A' ' 41' ' ' LYS . 8.3 p -64.64 104.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.07 -63.84 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -166.34 -172.65 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.435 ' CZ ' HG22 ' A' ' 40' ' ' THR . 80.6 m-85 -116.48 130.81 56.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.42 119.26 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 40.0 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.819 0.342 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -63.8 172.19 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.0 m -146.12 128.49 15.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.23 119.94 5.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 20' ' ' ILE . 47.9 t -94.61 126.58 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 111.172 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 84.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 p -106.44 -177.68 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -135.76 119.16 16.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.792 ' SG ' HD13 ' A' ' 16' ' ' LEU . 1.7 m -84.9 79.14 9.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.439 ' CG ' HD12 ' A' ' 84' ' ' LEU . 20.5 m120 -72.18 155.75 39.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.411 ' CZ ' HD12 ' A' ' 57' ' ' ILE . 12.4 m-85 -136.28 168.55 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 154.94 88.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.32 -28.04 15.59 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.62 2.213 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.36 -45.57 93.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.572 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -59.57 -179.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -177.6 -37.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.48 49.04 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 46.5 t -106.75 102.57 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.745 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -75.56 154.8 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.9 ptp180 -61.45 -41.36 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.761 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.7 t -57.24 -26.51 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.259 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.52 -54.72 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.208 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.735 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.5 mt -67.38 -21.8 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.664 ' HB2' HG12 ' A' ' 125' ' ' VAL . 52.3 t80 -81.86 -44.13 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.761 ' HG3' HG12 ' A' ' 97' ' ' VAL . 5.0 mt-10 -66.66 -50.73 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.33 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -63.72 -38.26 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.251 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 107' ' ' THR . 85.2 t80 -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 100' ' ' TYR . 16.5 mt -75.31 -30.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -28.75 66.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -92.51 -23.34 19.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.614 HG22 HD23 ' A' ' 113' ' ' LEU . 69.5 p -95.77 23.65 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 52.47 65.23 1.57 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 46.3 t30 61.85 30.38 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 56.62 14.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.8 p -128.67 -44.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -132.39 116.28 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.3 tm? -94.24 91.65 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.704 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.0 HD12 ' HB1' ' A' ' 47' ' ' ALA . 36.8 mt 61.05 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -133.33 37.69 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -153.47 111.02 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.1 p -75.15 120.81 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.775 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.5 159.08 42.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.634 ' O ' HD12 ' A' ' 118' ' ' LEU . 1.5 t0 -70.36 162.23 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -94.3 -45.25 7.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -58.14 -34.25 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.7 p -69.14 -30.49 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 119' ' ' ASP . 27.6 t -67.09 134.85 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -173.68 153.8 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.664 HG12 ' HB2' ' A' ' 100' ' ' TYR . 14.2 p -140.77 118.0 8.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.98 165.81 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -135.07 153.49 52.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.671 ' HB3' HD11 ' A' ' 84' ' ' LEU . 5.4 m80 -124.58 106.03 9.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.736 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -95.29 107.79 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.2 t-20 -54.26 112.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' SG ' ' A' ' 85' ' ' CYS . 14.2 tp -98.69 127.46 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -146.85 137.53 23.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.756 ' CD2' HD22 ' A' ' 118' ' ' LEU . 16.6 p90 -169.59 126.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.8 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -71.15 130.51 41.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.503 HD11 HG21 ' A' ' 81' ' ' VAL . 54.2 mt -107.77 102.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 p -60.86 -24.13 65.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -88.37 53.65 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -172.59 96.05 0.37 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.87 129.13 17.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.424 2.083 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD1' HG23 ' A' ' 79' ' ' THR . 4.9 t80 -80.17 117.95 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.14 176.74 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.629 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.5 m-20 -60.76 -49.93 75.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.618 HD11 ' HG2' ' A' ' 36' ' ' LYS . 40.1 mm -64.81 -21.87 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.17 31.07 2.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.91 100.21 0.93 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 76.8 Cg_exo -50.34 -25.06 12.96 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.46 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -56.67 -29.03 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.629 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.2 p -83.95 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -83.06 -30.22 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.618 ' HG2' HD11 ' A' ' 29' ' ' ILE . 40.0 tttt -56.72 -28.47 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 88.4 t80 -67.57 -53.53 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.49 -30.66 66.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.0 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -65.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -59.74 -30.64 68.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.652 ' CG ' HG11 ' A' ' 66' ' ' VAL . 17.1 ttmm -64.11 -59.68 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.14 -31.26 70.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.049 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.703 HG22 HD12 ' A' ' 48' ' ' LEU . 10.0 mt -74.06 -48.51 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' OE2' HG12 ' A' ' 66' ' ' VAL . 1.8 mt-10 -58.16 -40.3 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.11 -47.75 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.008 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.29 -38.91 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.703 HD12 HG22 ' A' ' 44' ' ' ILE . 25.5 mt -70.88 -30.8 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -59.41 -27.73 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.05 -53.2 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 8.8 m-85 -59.68 -42.74 93.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -66.97 -15.41 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.351 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -105.41 -28.93 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.509 ' N ' ' HE1' ' A' ' 106' ' ' MET . 51.7 p -58.01 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -96.6 28.52 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.8 pt -151.96 49.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.09 34.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.94 -39.59 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.782 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 7.4 m-85 -104.03 -33.15 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 1.1 t80 -60.03 131.36 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -100.37 -60.64 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -177.28 -177.13 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.59 150.78 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.784 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.3 100.77 7.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.652 HG11 ' CG ' ' A' ' 41' ' ' LYS . 9.8 p -69.7 116.13 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.89 -65.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.07 -170.79 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.97 134.76 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -102.54 161.29 13.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.7 t30 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.607 0.241 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -120.34 -174.71 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.825 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.566 HG23 ' CD1' ' A' ' 25' ' ' TYR . 6.6 m -156.55 115.16 3.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.94 105.73 1.75 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG21 HD11 ' A' ' 20' ' ' ILE . 44.7 t -72.98 134.48 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 111.205 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.68 75.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.078 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.2 tm? -139.68 115.94 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.862 ' SG ' HD13 ' A' ' 16' ' ' LEU . 17.9 m -75.04 77.88 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.526 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.59 ' OD1' HD12 ' A' ' 84' ' ' LEU . 2.7 m120 -69.68 145.48 52.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.3 m-85 -132.71 -179.92 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.857 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 m -91.85 158.83 39.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.83 -26.59 27.07 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.531 2.154 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.77 -36.38 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.782 ' HB2' ' CG ' ' A' ' 60' ' ' TYR . . . -76.32 177.99 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -178.61 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.05 50.19 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.413 HG11 ' CE2' ' A' ' 87' ' ' PHE . 31.8 t -106.23 95.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -60.47 166.02 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.995 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -74.9 -39.3 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.6 t -62.03 -25.77 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -63.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.783 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.9 mt -67.66 -26.72 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.495 ' CE2' HD11 ' A' ' 104' ' ' LEU . 73.8 t80 -69.53 -42.97 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -79.27 -44.49 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.4 -33.09 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -75.6 -44.73 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.506 HD23 ' HA3' ' A' ' 110' ' ' GLY . 19.7 mt -59.01 -41.48 87.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -58.91 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.509 ' HE1' ' N ' ' A' ' 55' ' ' SER . 3.3 tpp -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.501 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.794 HG22 HD23 ' A' ' 113' ' ' LEU . 62.9 p -95.99 27.34 3.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 54.74 60.49 3.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.87 28.37 12.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.506 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 69.33 35.7 77.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.784 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.8 p -120.22 -15.36 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -158.15 114.16 2.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.794 HD23 HG22 ' A' ' 107' ' ' THR . 1.5 tm? -97.46 90.76 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.008 HD12 ' HB1' ' A' ' 47' ' ' ALA . 82.5 mt 59.71 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 m120 -133.67 37.96 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -151.04 94.55 2.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.13 127.75 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.756 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -143.17 159.46 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.64 ' O ' HD12 ' A' ' 118' ' ' LEU . 11.4 t0 -70.41 160.88 31.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.16 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.43 ' HG3' HD22 ' A' ' 104' ' ' LEU . 7.9 ttt180 -95.08 -53.73 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -31.06 70.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.4 p -60.08 -31.25 69.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.82 146.69 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -169.96 125.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.95 126.21 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.44 177.11 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.0 p . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -112.27 163.64 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.683 ' CB ' HD11 ' A' ' 84' ' ' LEU . 44.7 m170 -137.19 95.58 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -85.17 113.2 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -53.26 119.48 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.817 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.6 tp -98.2 133.55 42.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.48 137.52 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.688 ' HB2' HG22 ' A' ' 123' ' ' VAL . 8.5 p90 -177.39 123.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.774 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 79' ' ' THR . 27.0 m -74.95 131.99 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 81' ' ' VAL . 50.7 mt -100.45 97.71 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 p -53.87 -26.14 23.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -87.8 52.41 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.613 ' HG ' HG21 ' A' ' 40' ' ' THR . 0.4 OUTLIER -174.45 88.32 0.33 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.701 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.28 126.81 17.77 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.486 2.124 . . . . 0.0 112.347 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -63.5 97.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -104.67 168.98 8.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.51 -28.27 65.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HA ' HG21 ' A' ' 34' ' ' THR . 10.9 m-20 -68.17 -45.58 73.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.504 HD11 ' HG2' ' A' ' 36' ' ' LYS . 34.1 mm -68.18 -28.12 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.92 -9.6 58.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.497 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -124.67 109.49 28.28 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 15.8 Cg_exo -67.58 61.85 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.646 2.23 . . . . 0.0 112.366 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -170.7 34.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 28' ' ' ASP . 29.9 p -128.64 -175.52 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -83.1 -52.37 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.098 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' HD11 ' A' ' 29' ' ' ILE . 15.7 tttt -57.32 -28.86 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' CZ ' ' HE3' ' A' ' 41' ' ' LYS . 66.2 t80 -77.38 -49.42 14.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -69.79 -30.72 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.05 -41.24 62.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.613 HG21 ' HG ' ' A' ' 23' ' ' LEU . 74.0 m -72.44 -47.15 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.993 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.734 ' CG ' HG11 ' A' ' 66' ' ' VAL . 5.1 ttmt -58.52 -48.44 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -40.89 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 48' ' ' LEU . 14.7 mt -70.23 -48.67 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -43.0 94.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -69.25 -49.16 58.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -63.47 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 44' ' ' ILE . 12.4 mt -72.61 -33.47 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -63.43 -39.19 93.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -55.15 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -49.04 -39.4 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 15.9 m-85 -59.55 -47.77 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 mtm105 -74.91 -7.28 53.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.11 -28.75 12.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.413 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 51.2 p -66.23 176.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.08 -22.92 38.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.452 HG23 ' OE2' ' A' ' 102' ' ' GLU . 37.8 pt -92.93 45.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 38.91 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.12 -45.33 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 44.8 m-85 -110.2 -27.23 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -55.51 127.76 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.11 -66.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -164.33 -177.1 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.447 ' HG ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -113.82 164.83 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -132.22 97.22 4.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.734 HG11 ' CG ' ' A' ' 41' ' ' LYS . 9.8 p -68.21 110.16 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.71 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.28 -179.49 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -107.84 176.28 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -147.57 155.11 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.62 0.247 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -127.95 -179.79 5.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.8 0.333 . . . . 0.0 110.836 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.428 ' C ' HG23 ' A' ' 19' ' ' THR . 60.5 m -159.46 126.49 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.72 134.1 12.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 20' ' ' ILE . 41.3 t -102.28 138.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.55 76.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.89 -177.86 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 13' ' ' HIS . 3.2 tm? -135.86 119.44 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.984 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.817 ' SG ' HD13 ' A' ' 16' ' ' LEU . 86.7 m -73.4 83.11 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.518 ' ND2' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -70.25 139.7 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.31 -179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CE1' HD11 ' A' ' 99' ' ' ILE . 6.3 m-85 -130.47 -176.88 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.908 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.64 166.07 17.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 90' ' ' LEU . 57.5 Cg_endo -71.13 -33.68 11.25 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.555 2.17 . . . . 0.0 112.383 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 5.5 mp -59.73 -31.21 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 60' ' ' TYR . . . -60.02 165.73 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -178.7 -38.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -94.05 46.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.85 121.98 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.6 160.4 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.1 OUTLIER -62.94 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.487 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -65.93 -28.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.663 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.0 mt -64.14 -19.53 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.715 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 63.8 t80 -82.16 -46.07 14.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.487 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.5 mt-10 -72.31 -29.14 63.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.261 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' OE2' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -83.65 -30.36 26.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.074 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -76.47 -28.84 56.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.819 HD22 ' HG2' ' A' ' 120' ' ' ARG . 11.6 mt -84.37 -38.54 20.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -61.68 -51.65 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -63.18 -25.16 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.795 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.433 HG22 HD23 ' A' ' 113' ' ' LEU . 54.7 p -97.02 29.28 3.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.046 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.31 59.47 4.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.08 0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 62.17 37.42 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.69 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.92 70.2 1.08 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.332 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.9 p -141.58 -45.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 1.3 tt0 -129.0 98.87 5.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 111.353 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -85.8 85.99 7.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.964 HD12 ' HB1' ' A' ' 47' ' ' ALA . 81.5 mt 60.98 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -132.51 30.49 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -149.85 97.8 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 15.9 p -64.94 123.43 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.653 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -136.27 158.83 43.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.647 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.9 167.17 21.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.248 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.819 ' HG2' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -106.11 -49.28 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -57.33 -31.53 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.9 p -70.47 -30.53 67.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.688 HG22 ' HB2' ' A' ' 18' ' ' PHE . 39.8 t -60.41 143.32 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -171.19 133.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 15' ' ' ASN . 13.1 p -131.97 134.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.31 174.6 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.754 0.311 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.606 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -158.99 131.97 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -126.82 116.79 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HB3' HG22 ' A' ' 125' ' ' VAL . 60.2 m-85 -108.78 110.95 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.562 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.6 t-20 -55.37 111.69 0.94 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.74 HD13 ' SG ' ' A' ' 85' ' ' CYS . 18.4 tp -88.24 136.22 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -153.31 140.18 19.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.976 0.417 . . . . 0.0 111.302 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.738 ' CD2' HD22 ' A' ' 118' ' ' LEU . 21.5 p90 -178.29 116.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.532 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -69.21 133.49 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.449 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 81' ' ' VAL . 23.5 mt -106.01 108.73 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 p -68.33 -30.5 69.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.223 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -79.35 -2.91 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.545 HD21 HG23 ' A' ' 40' ' ' THR . 0.3 OUTLIER -103.55 90.65 2.84 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.24 116.36 4.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.515 2.144 . . . . 0.0 112.257 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.484 ' HD2' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -80.03 128.45 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 m -135.95 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.706 ' HA ' HG21 ' A' ' 34' ' ' THR . 49.8 m-20 -64.23 -45.82 86.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.49 -13.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.391 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.57 -24.64 20.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.712 0.291 . . . . 0.0 111.192 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -122.52 118.57 28.62 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 40.4 Cg_exo -56.75 -20.9 37.25 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.514 2.143 . . . . 0.0 112.434 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 t -53.71 -29.11 37.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.706 HG21 ' HA ' ' A' ' 28' ' ' ASP . 47.2 p -84.14 165.46 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.991 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.454 HG22 ' HG3' ' A' ' 39' ' ' GLN . 12.3 m -83.14 -30.78 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.041 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -58.03 -28.14 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 27.3 t80 -75.08 -36.24 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -82.07 -38.39 24.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.6 mm-40 -70.37 -47.72 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.545 HG23 HD21 ' A' ' 23' ' ' LEU . 63.1 m -64.7 -46.25 83.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -58.66 -44.46 90.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -71.61 -30.66 66.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -62.13 -45.32 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.995 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.434 HD12 ' CE1' ' A' ' 69' ' ' PHE . 41.5 mt -70.25 -46.89 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -36.44 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.6 -45.47 58.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.085 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -61.02 -37.03 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 24.9 mt -71.08 -29.89 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.39 -59.48 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' OE1' HD13 ' A' ' 114' ' ' LEU . 9.2 pt20 -59.63 -31.16 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.98 -52.77 63.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 m-85 -61.16 -41.45 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -61.91 -29.3 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -94.85 -27.22 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' HE1' ' A' ' 106' ' ' MET . 88.4 p -57.26 155.24 9.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -59.04 -28.6 66.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.652 HG23 ' OE2' ' A' ' 102' ' ' GLU . 24.8 pt -93.88 46.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -90.29 46.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.8 t -140.52 -47.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.601 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.6 m-85 -91.52 -29.0 17.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.8 t80 -67.72 95.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -60.61 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.78 -171.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 52.6 t -128.92 154.14 46.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -132.96 121.89 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 66' ' ' VAL . 11.2 p -83.87 116.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.1 mt -75.05 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.11 171.67 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CE1' HD12 ' A' ' 44' ' ' ILE . 43.5 m-85 -104.97 132.31 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.09 109.48 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.843 0.354 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -72.13 173.42 8.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 25' ' ' TYR . 77.0 m -162.69 109.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 106.6 1.86 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.416 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 20' ' ' ILE . 61.9 t -70.62 141.59 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.193 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -130.02 76.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.541 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.53 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -101.76 -178.86 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.668 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 15' ' ' ASN . 1.3 tm? -137.22 118.11 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.74 ' SG ' HD13 ' A' ' 16' ' ' LEU . 3.9 m -73.62 82.08 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.362 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.81 124.28 22.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.098 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.735 ' CE2' HG11 ' A' ' 94' ' ' VAL . 5.0 m-85 -116.57 155.78 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.42 159.16 80.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.64 -14.84 43.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.589 2.193 . . . . 0.0 112.54 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 90' ' ' LEU . 6.3 mp -69.3 -34.61 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -58.14 178.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.088 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 178.94 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 32.19 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.295 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.735 HG11 ' CE2' ' A' ' 87' ' ' PHE . 15.1 t -87.47 140.01 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.65 155.43 45.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.705 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -58.64 -30.59 67.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.86 -30.19 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.5 -62.98 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.193 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.647 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.6 mt -63.98 -23.57 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.586 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 60.0 t80 -75.03 -44.39 48.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.84 -51.49 13.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.652 ' OE2' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.95 -28.56 64.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.693 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.688 ' O ' HG23 ' A' ' 107' ' ' THR . 56.5 t80 -77.06 -58.96 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.227 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.586 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 68.3 mt -56.19 -39.82 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -28.17 69.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.402 ' HE1' ' N ' ' A' ' 55' ' ' SER . 2.4 tpp -87.31 -25.97 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.332 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.845 HG22 HD23 ' A' ' 113' ' ' LEU . 7.3 p -93.84 43.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 54.64 52.13 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 62.32 48.25 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.43 ' HA3' HD22 ' A' ' 104' ' ' LEU . . . 58.86 40.81 95.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.719 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.6 p -124.3 -38.17 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.249 . . . . 0.0 111.35 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 50.5 tt0 -143.32 116.96 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.215 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.845 HD23 HG22 ' A' ' 107' ' ' THR . 1.5 tm? -94.61 92.19 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.085 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.7 mt 61.66 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 5.4 m120 -133.84 43.17 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 87.8 m-85 -158.47 114.25 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 15.4 p -77.68 118.05 19.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.738 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -135.22 159.75 40.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.28 144.69 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -47.28 19.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -58.94 -32.88 70.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 t -63.47 -33.86 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.714 HG22 ' HB2' ' A' ' 18' ' ' PHE . 18.2 t -59.67 150.19 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -174.02 131.9 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 96' ' ' ARG . 14.9 p -129.48 117.38 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.79 170.61 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.988 -179.863 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.805 0.336 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.82 146.23 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.71 ' HB3' HD11 ' A' ' 84' ' ' LEU . 10.7 m-70 -128.05 109.31 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 96.7 m-85 -95.92 118.1 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.736 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 125' ' ' VAL . 0.4 OUTLIER -59.97 119.0 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.769 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.4 tp -98.35 128.32 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.56 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -146.31 135.27 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.425 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.807 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.0 p90 -171.27 115.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.444 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -77.65 132.7 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.643 HD11 HG21 ' A' ' 81' ' ' VAL . 19.0 mt -97.0 131.41 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.826 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.884 HG22 ' CE1' ' A' ' 78' ' ' HIS . 6.3 p -97.11 32.03 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' HG22 ' A' ' 20' ' ' ILE . 45.0 t30 -146.44 30.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -143.97 105.4 4.86 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.768 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.4 143.09 62.22 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.373 2.049 . . . . 0.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -102.88 122.31 44.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 p -128.47 177.15 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.862 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.0 OUTLIER -60.3 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 36' ' ' LYS . 39.2 mm -59.56 -28.42 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.83 -18.98 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.324 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.7 113.46 22.61 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.14 -23.64 23.2 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.516 2.144 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -55.46 -29.68 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.862 HG21 ' HA ' ' A' ' 28' ' ' ASP . 27.6 p -74.64 162.94 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -82.93 -29.77 28.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 29' ' ' ILE . 18.9 tttt -58.72 -29.83 66.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -80.66 -53.45 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -59.92 -31.3 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -65.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.659 HG22 HD11 ' A' ' 44' ' ' ILE . 4.6 m -61.23 -31.23 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.92 -31.12 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -83.49 -40.36 19.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -59.46 -43.2 93.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.659 HD11 HG22 ' A' ' 40' ' ' THR . 12.1 mt -69.92 -45.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.94 87.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.36 -37.77 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.728 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -68.72 -35.15 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD13 ' SG ' ' A' ' 64' ' ' CYS . 72.3 mt -72.4 -30.73 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -59.66 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.991 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.12 -30.25 67.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' O ' ' HE1' ' A' ' 106' ' ' MET . 6.5 tt -61.02 -36.42 79.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.4 m-85 -76.81 -41.46 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -26.54 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -88.64 -29.53 19.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.7 p -66.44 161.45 22.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.996 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -59.89 -26.39 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.0 pt -93.21 45.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -91.53 50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -141.7 -47.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -90.0 -36.7 14.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -59.54 115.35 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -61.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -175.38 -176.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.447 ' SG ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -113.04 150.19 32.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -120.83 93.7 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 66' ' ' VAL . 10.1 p -68.66 107.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.14 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.93 -171.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -113.94 119.17 36.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -78.34 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.884 ' CE1' HG22 ' A' ' 21' ' ' THR . 3.1 m-70 -117.0 -179.91 3.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -163.88 120.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.52 108.45 2.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 HD11 ' A' ' 20' ' ' ILE . 36.6 t -77.98 93.12 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.215 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.73 86.84 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.669 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.636 ' OG ' HD23 ' A' ' 16' ' ' LEU . 2.0 p -108.95 -177.58 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.7 tm? -136.16 118.8 15.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.862 ' SG ' HD13 ' A' ' 16' ' ' LEU . 44.9 m -78.53 81.13 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.657 ' ND2' HD12 ' A' ' 84' ' ' LEU . 4.6 m-80 -70.11 142.3 52.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 94' ' ' VAL . 8.3 m-85 -131.41 -177.03 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.833 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.7 OUTLIER -109.12 151.77 42.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.972 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 88' ' ' SER . 23.1 Cg_exo -63.88 -20.79 68.78 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.607 2.204 . . . . 0.0 112.541 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.33 -27.08 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -59.48 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 62.28 24.13 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 30.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 91' ' ' ALA . 28.4 t -100.82 149.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.83 159.34 40.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ARG . . . . . 0.426 ' HB2' HG13 ' A' ' 125' ' ' VAL . 6.3 ptt180 -62.23 -34.53 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.23 -30.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.86 -54.74 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.781 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.7 mt -65.94 -25.6 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.772 ' CE2' HD11 ' A' ' 104' ' ' LEU . 78.4 t80 -75.68 -44.22 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.41 -54.77 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -35.26 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.119 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' A' ' 107' ' ' THR . 58.0 t80 -65.21 -45.7 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.024 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -63.39 -37.26 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.08 -33.28 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.473 ' HE1' ' O ' ' A' ' 51' ' ' LEU . 2.2 tpp -87.69 -24.33 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.331 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 113' ' ' LEU . 22.3 p -95.73 25.05 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.238 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 52.01 78.83 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.189 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 55.78 29.21 13.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.588 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 59.88 66.09 2.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.407 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.4 p -146.34 -44.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.709 0.29 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 4.7 tt0 -122.52 99.76 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 111.217 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.769 ' HA ' HG22 ' A' ' 107' ' ' THR . 2.0 tm? -70.23 91.21 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.728 HD12 ' HB1' ' A' ' 47' ' ' ALA . 29.2 mt 62.18 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -115.72 -35.47 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -76.88 159.17 30.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 71.0 p -117.34 114.22 23.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.807 HD22 ' CD2' ' A' ' 18' ' ' PHE . 2.6 pp -127.79 161.89 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.166 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.77 172.45 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -105.79 -50.23 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -52.52 -28.29 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.3 t -77.74 -28.88 50.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.15 135.71 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 20.7 t80 -174.04 148.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 15' ' ' ASN . 14.4 p -145.25 138.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.77 -172.61 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.837 0.351 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -145.5 133.89 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.558 ' CD2' ' ND2' ' A' ' 86' ' ' ASN . 32.7 m170 -114.73 119.05 35.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 84.4 m-85 -107.1 109.41 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.566 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 t30 -58.15 106.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.827 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.4 tp -89.02 125.86 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.459 ' ND2' ' OD1' ' A' ' 82' ' ' ASP . 14.4 m120 -144.14 141.01 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 111.466 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.802 ' HB2' HG22 ' A' ' 123' ' ' VAL . 21.7 p90 -178.17 112.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.478 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -67.63 133.72 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.243 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.576 HD11 HG21 ' A' ' 81' ' ' VAL . 22.3 mt -103.08 100.11 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.1 p -53.14 -28.69 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.243 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -94.44 44.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.649 HD21 HG23 ' A' ' 40' ' ' THR . 0.6 OUTLIER -151.93 91.83 3.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.62 144.35 54.45 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.481 2.121 . . . . 0.0 112.334 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -103.72 128.99 51.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.5 p -132.23 179.02 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.7 -30.38 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.546 ' HA ' HG21 ' A' ' 34' ' ' THR . 3.1 m-20 -65.8 -46.96 76.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.699 HD11 ' HG3' ' A' ' 36' ' ' LYS . 29.6 mm -66.42 -14.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.59 36.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.264 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 6.2 mt-30 -119.21 137.35 25.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 5.8 Cg_exo -73.99 -2.56 12.45 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.674 2.249 . . . . 0.0 112.745 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 t -94.27 32.63 1.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.638 0.256 . . . . 0.0 111.292 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.546 HG21 ' HA ' ' A' ' 28' ' ' ASP . 5.6 p -138.66 140.06 38.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m -57.56 -38.99 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.699 ' HG3' HD11 ' A' ' 29' ' ' ILE . 11.4 tptp -59.13 -29.21 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.6 t80 -73.74 -61.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.62 -30.64 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.31 -52.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.649 HG23 HD21 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -60.95 -44.65 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.97 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.647 ' CG ' HG11 ' A' ' 66' ' ' VAL . 14.0 ttmt -59.43 -56.3 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -58.81 -38.76 79.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -60.11 -50.83 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.458 HD12 ' CZ ' ' A' ' 69' ' ' PHE . 28.0 mt -71.31 -47.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -29.8 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.81 -45.19 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.846 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.27 -37.28 83.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 48' ' ' LEU . 15.7 mt -71.95 -30.96 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -57.73 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -63.25 -26.91 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 51' ' ' LEU . 4.0 tt -63.74 -30.4 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.1 m-85 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 -56.03 -23.45 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -88.14 -29.04 20.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.3 p -62.69 168.86 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 p -70.61 -26.96 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' HZ ' ' A' ' 87' ' ' PHE . 24.9 pt -94.16 46.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -89.53 52.35 2.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -137.59 -52.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.628 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 43.8 m-85 -88.21 -30.24 19.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 t80 -56.98 107.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -76.87 -60.76 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -177.2 176.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' CYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -111.77 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -96.25 101.17 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.647 HG11 ' CG ' ' A' ' 41' ' ' LYS . 10.4 p -73.08 107.88 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.11 -65.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.39 -176.1 2.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CZ ' HD12 ' A' ' 44' ' ' ILE . 58.1 m-85 -113.68 136.17 53.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -88.92 131.95 34.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.676 0.274 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -103.36 172.02 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -150.39 110.7 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 112.56 4.96 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.576 HG21 HD11 ' A' ' 20' ' ' ILE . 48.2 t -73.62 133.5 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.459 ' OD1' ' ND2' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -122.51 78.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.367 179.653 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.606 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.63 175.92 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.607 HD12 ' OD1' ' A' ' 86' ' ' ASN . 1.2 tm? -135.26 103.47 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.827 ' SG ' HD13 ' A' ' 16' ' ' LEU . 14.7 m -67.52 76.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 110.463 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.607 ' OD1' HD12 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -69.23 146.03 52.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.626 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 13.5 m-85 -133.31 148.92 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -56.8 153.88 20.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.34 -31.2 94.56 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.557 2.171 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.0 -31.49 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -66.28 135.52 54.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.94 33.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -167.58 33.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 21.2 t -97.33 87.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.57 156.77 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.463 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -63.61 -29.65 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.65 -59.88 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.653 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.4 mt -69.84 -23.69 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.751 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.8 t80 -75.83 -41.57 52.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.463 ' HG3' HG12 ' A' ' 97' ' ' VAL . 5.1 mt-10 -74.95 -41.3 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.27 -37.71 78.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 107' ' ' THR . 35.0 t80 -71.58 -47.63 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.3 mt -60.06 -42.18 93.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -42.81 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 tpp -78.12 -28.71 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.21 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 113' ' ' LEU . 42.9 p -97.08 26.42 4.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.0 m170 51.59 78.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 52.04 26.32 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 66.57 70.43 1.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.421 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -139.61 -46.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.7 119.83 19.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.0 tm? -95.03 92.24 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.724 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.846 HD12 ' HB1' ' A' ' 47' ' ' ALA . 33.4 mt 61.03 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -131.76 29.52 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.773 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -141.02 109.33 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.2 p -75.82 115.98 16.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.004 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.774 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -128.91 160.41 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.504 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -85.72 159.94 19.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 120' ' ' ARG . 21.8 ttp-105 -90.5 -42.77 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -34.33 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.3 p -71.37 -29.76 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.802 HG22 ' HB2' ' A' ' 18' ' ' PHE . 38.9 t -63.5 145.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -171.59 127.27 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.818 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 125' ' ' VAL . 11.3 p -128.18 112.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.2 161.63 25.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.805 0.336 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -120.77 152.19 38.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.511 ' HB3' HD11 ' A' ' 84' ' ' LEU . 2.0 m-70 -117.12 133.45 55.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 16.6 m-85 -125.26 104.42 8.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.752 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.485 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.1 m120 -52.59 111.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.267 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.86 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.0 tp -99.06 115.27 28.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -130.6 140.2 50.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 111.249 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.827 ' CD2' HD22 ' A' ' 118' ' ' LEU . 15.7 p90 -178.25 127.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.57 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -84.84 138.61 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.392 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.734 HG22 ' H ' ' A' ' 22' ' ' ASN . 23.1 mt -106.97 130.18 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.877 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 p -96.17 20.79 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.734 ' H ' HG22 ' A' ' 20' ' ' ILE . 36.4 t30 -113.22 -31.26 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' HG21 ' A' ' 40' ' ' THR . 1.4 tm? -91.91 105.0 11.91 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.33 130.65 22.96 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.334 2.023 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.03 153.57 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -162.05 162.94 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -30.96 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.831 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.1 m-20 -69.6 -42.46 74.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HE3' ' A' ' 36' ' ' LYS . 42.0 mm -63.43 -17.09 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.76 28.33 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.99 109.53 0.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.98 -21.87 22.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.468 2.112 . . . . 0.0 112.504 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -56.27 -34.23 66.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.831 HG21 ' HA ' ' A' ' 28' ' ' ASP . 25.9 p -76.92 164.9 25.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.494 HG22 ' HG3' ' A' ' 39' ' ' GLN . 6.9 m -83.13 -29.46 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.704 ' HE3' HD11 ' A' ' 29' ' ' ILE . 5.0 tttp -58.23 -30.02 66.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 41' ' ' LYS . 61.8 t80 -71.97 -55.62 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.73 -38.59 88.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.494 ' HG3' HG22 ' A' ' 35' ' ' THR . 15.1 mt-30 -60.04 -57.54 12.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.555 HG21 ' HG ' ' A' ' 23' ' ' LEU . 90.3 m -64.64 -38.78 92.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.746 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.73 ' CG ' HG11 ' A' ' 66' ' ' VAL . 15.1 ttpt -60.33 -36.49 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -39.96 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -45.96 92.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -67.2 -40.92 86.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.59 -30.49 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.6 -47.11 28.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.049 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -61.76 -42.41 98.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 92.2 mt -68.22 -32.99 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.04 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -55.78 -64.54 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.04 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.35 -27.37 62.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' O ' ' HE3' ' A' ' 106' ' ' MET . 6.8 tt -58.85 -36.22 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.78 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 49' ' ' ASN . 1.5 m-85 -73.67 -47.09 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -26.16 36.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -104.33 -16.24 15.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.409 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 52.2 p -54.16 158.16 2.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.776 0.322 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -64.29 -25.39 68.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.9 pt -103.88 51.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -85.62 50.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.208 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -146.69 18.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.079 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.447 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 18.4 m-85 -162.65 -43.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.942 0.401 . . . . 0.0 110.711 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -52.98 121.05 6.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 t -89.64 -60.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -179.15 -178.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.68 168.23 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -134.65 98.31 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.73 HG11 ' CG ' ' A' ' 41' ' ' LYS . 8.0 p -66.51 102.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.32 -56.65 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.37 -173.77 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.35 167.36 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -128.22 141.71 51.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.632 0.253 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -134.02 179.06 6.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.746 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.7 m -159.81 123.88 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.28 150.49 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 20' ' ' ILE . 44.7 t -121.04 122.54 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 111.276 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.38 81.47 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.458 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.485 ' OG ' HD23 ' A' ' 16' ' ' LEU . 2.1 p -101.5 174.84 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.8 tm? -134.46 109.52 8.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.998 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.86 ' SG ' HD13 ' A' ' 16' ' ' LEU . 33.4 m -67.25 76.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.516 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.403 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 3.5 m-80 -70.2 145.54 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.239 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 10.9 m-85 -130.19 144.07 51.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.799 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.01 155.32 64.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -55.92 -28.09 66.57 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.522 2.148 . . . . 0.0 112.272 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 90' ' ' LEU . 6.7 mp -68.34 -27.23 66.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.1 148.31 22.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -167.9 150.9 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.65 35.58 11.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.7 t -103.16 123.02 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -98.62 172.46 7.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -72.36 -34.19 67.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 t -66.83 -29.08 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.15 -60.38 3.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.719 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.2 mt -63.34 -26.33 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 104' ' ' LEU . 84.7 t80 -72.54 -45.52 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.43 -54.27 30.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -28.94 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.277 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -75.33 -31.57 60.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.124 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.793 HD11 ' CE2' ' A' ' 100' ' ' TYR . 71.2 mt -79.6 -29.6 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.089 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -35.71 76.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.409 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 3.0 tpp -84.67 -23.58 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.298 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.574 HG22 HD23 ' A' ' 113' ' ' LEU . 38.2 p -95.25 22.64 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.304 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 51.92 81.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 53.59 27.08 6.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.51 77.04 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.0 p -156.82 -43.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.441 ' HG3' HG22 ' A' ' 117' ' ' THR . 21.9 tt0 -125.12 100.07 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.199 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -76.39 89.58 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.435 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.049 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.7 mt 62.2 -80.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.85 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.66 -34.83 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.418 ' HE2' HD23 ' A' ' 23' ' ' LEU . 52.4 m-85 -80.6 129.98 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 112' ' ' GLN . 21.7 p -93.57 115.55 28.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.3 pp -125.76 160.31 30.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 0.0 111.222 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.63 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -69.02 -170.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.217 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -121.38 -43.68 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -39.76 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -65.42 -29.54 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.74 130.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -173.93 127.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -117.71 130.05 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.88 162.8 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 48.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.741 0.305 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.713 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -159.44 131.97 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 111.052 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.633 ' HB3' HD11 ' A' ' 84' ' ' LEU . 7.8 m-70 -130.18 117.14 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.794 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 26.9 m-85 -106.41 110.88 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -55.69 109.33 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD13 ' SG ' ' A' ' 85' ' ' CYS . 15.4 tp -95.16 127.58 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -147.52 142.0 26.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.72 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.4 p90 -176.14 115.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.1 m -65.4 130.9 44.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 HG21 ' A' ' 81' ' ' VAL . 38.7 mt -105.31 95.98 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.0 p -56.27 -27.2 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -71.51 -15.81 62.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.647 ' HG ' HG21 ' A' ' 40' ' ' THR . 1.6 tm? -114.18 91.76 24.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' O ' HD13 ' A' ' 23' ' ' LEU . 34.1 Cg_exo -59.63 162.08 16.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.525 2.15 . . . . 0.0 112.074 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 9.0 t80 -116.09 97.79 6.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -98.02 -176.53 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.62 -29.12 65.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.736 ' HA ' HG21 ' A' ' 34' ' ' THR . 2.6 m-20 -59.46 -50.12 75.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.92 -29.02 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.075 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -59.94 -20.4 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -128.19 119.85 20.99 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.25 -22.78 34.15 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.446 2.097 . . . . 0.0 112.444 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 t -56.2 -28.85 59.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.736 HG21 ' HA ' ' A' ' 28' ' ' ASP . 73.4 p -71.97 160.11 33.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' HG3' ' A' ' 39' ' ' GLN . 1.6 m -83.05 -28.11 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -61.57 -51.7 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.9 -34.1 71.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.7 mt-30 -58.85 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.041 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.647 HG21 ' HG ' ' A' ' 23' ' ' LEU . 76.2 m -60.9 -33.17 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.993 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.48 -42.96 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.091 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -78.16 -29.65 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 t -65.62 -47.19 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.77 -47.46 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -30.7 67.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 51.8 t30 -80.86 -37.06 30.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.041 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -72.38 -33.33 67.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 14.5 mt -71.1 -39.3 72.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -57.82 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.975 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 46' ' ' ASN . 1.2 pt20 -59.97 -30.51 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 51' ' ' LEU . 10.0 tt -66.59 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 17.8 m-85 -75.06 -35.67 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -13.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.341 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -109.37 30.29 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 p -123.2 169.58 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -70.61 -27.71 64.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.79 43.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 45.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.1 m -126.44 -43.3 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.643 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 60.5 m-85 -106.12 -29.8 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.505 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.6 t80 -57.89 126.99 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.2 p -98.48 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.41 -173.63 1.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.23 158.82 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -123.05 96.12 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.8 p -68.69 98.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.45 -64.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.64 -178.22 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -111.54 136.98 49.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -103.52 155.52 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 41.4 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.76 0.314 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -131.63 -169.83 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 m -164.46 115.93 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 113.62 4.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.371 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 20' ' ' ILE . 42.2 t -77.09 134.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.84 81.78 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.474 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.66 179.98 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.253 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 13' ' ' HIS . 3.1 tm? -137.81 111.28 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.837 ' SG ' HD13 ' A' ' 16' ' ' LEU . 35.5 m -66.08 79.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.327 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -68.3 139.99 55.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.398 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.705 ' CE2' HG11 ' A' ' 94' ' ' VAL . 7.1 m-85 -129.25 164.18 24.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.87 148.63 57.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.92 -27.02 83.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.559 2.173 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 90' ' ' LEU . 6.5 mp -58.24 -32.63 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.713 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -71.45 -178.51 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.29 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -94.45 37.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 87' ' ' PHE . 21.9 t -99.79 108.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 160.86 14.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.037 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.09 73.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -59.98 -30.82 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.08 -62.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.787 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.7 mt -67.46 -16.94 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.639 ' HB2' HG11 ' A' ' 125' ' ' VAL . 33.4 t80 -81.16 -42.29 21.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.87 -29.91 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -74.91 -32.45 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.59 -48.93 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.444 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 66.6 mt -61.82 -39.77 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -60.19 -36.75 78.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 tpp -81.11 -29.4 34.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 113' ' ' LEU . 57.2 p -95.45 22.24 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.8 m80 54.24 71.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.0 t30 58.22 32.46 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.038 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.32 68.93 1.44 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.5 p -134.9 -45.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.748 0.309 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -140.47 105.7 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.101 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.738 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -78.89 97.42 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.041 HD12 ' HB1' ' A' ' 47' ' ' ALA . 69.2 mt 61.75 -80.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.4 t-20 -136.65 35.99 2.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -143.86 107.71 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.6 p -72.2 114.07 9.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.72 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.9 pp -128.61 160.46 32.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.44 160.82 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -97.08 -42.56 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -32.4 69.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.3 p -70.34 -25.69 63.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 41.6 t -57.51 152.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -169.83 115.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' A' ' 100' ' ' TYR . 8.2 p -120.43 79.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.998 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.48 147.54 24.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 30.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -142.88 168.52 19.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.814 ' HB3' HD11 ' A' ' 84' ' ' LEU . 16.1 m-70 -137.62 128.16 26.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 89.4 m-85 -117.78 109.65 16.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -50.87 105.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.395 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD23 ' OG ' ' A' ' 83' ' ' SER . 20.5 tp -85.72 138.41 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -152.63 134.72 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.358 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CD2' HD22 ' A' ' 118' ' ' LEU . 26.9 p90 -176.81 113.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.645 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -74.74 138.73 42.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 HG21 ' A' ' 81' ' ' VAL . 15.5 mt -101.08 146.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.906 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.0 p -108.47 33.22 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' ILE . 20.5 t30 -153.62 30.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.473 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -136.83 94.49 12.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.766 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 23' ' ' LEU . 29.1 Cg_endo -63.2 126.89 18.79 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.073 . . . . 0.0 112.353 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 26' ' ' SER . 15.0 t80 -85.56 156.86 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.4 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 37.8 m -161.72 172.45 16.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -31.05 69.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.861 ' HA ' HG21 ' A' ' 34' ' ' THR . 65.4 m-20 -60.58 -43.36 97.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.723 HD11 ' HG3' ' A' ' 36' ' ' LYS . 37.3 mm -64.6 -15.41 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.437 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.78 20.31 10.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.268 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.44 115.86 1.16 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.721 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 35.6 Cg_exo -59.31 -18.39 45.06 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.436 2.09 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -62.04 -31.9 72.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.089 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.861 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.5 p -77.73 166.02 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.072 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 39' ' ' GLN . 8.2 m -83.06 -37.11 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.723 ' HG3' HD11 ' A' ' 29' ' ' ILE . 16.3 tptm -54.22 -28.55 41.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 55.4 t80 -67.22 -59.47 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.94 -35.82 81.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.458 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.1 mt-30 -60.07 -52.54 64.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.7 m -72.86 -38.58 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.62 ' CG ' HG11 ' A' ' 66' ' ' VAL . 22.9 tttt -65.62 -32.93 74.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -82.14 -32.57 30.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -61.08 -56.45 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.34 -42.01 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.43 -30.88 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.647 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -76.94 -41.54 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.087 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.92 -44.67 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 13.7 mt -62.0 -39.58 92.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -80.97 -23.73 38.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 103' ' ' PHE . 7.0 tt -78.04 -36.73 48.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 13.6 m-85 -68.2 -50.66 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -23.95 57.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -100.42 -25.12 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 97.7 p -56.2 162.39 2.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.147 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 p -58.51 -22.15 54.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -110.56 55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.026 0.441 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 25.25 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.332 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.6 p -129.22 19.83 5.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.98 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.445 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 20.4 m-85 -152.23 -45.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 52' ' ' PHE . 2.6 t80 -54.77 115.79 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.9 p -76.77 -73.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -159.33 -174.02 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.44 141.61 47.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -115.17 93.7 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.62 HG11 ' CG ' ' A' ' 41' ' ' LYS . 12.0 p -68.56 115.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.15 -66.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.13 -169.87 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -122.5 131.47 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -94.15 115.02 27.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.771 0.319 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -78.8 176.35 9.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 83.3 m -161.71 133.6 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.37 119.46 4.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.653 HG21 HD11 ' A' ' 20' ' ' ILE . 43.9 t -87.35 93.79 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.23 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.54 87.44 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.655 ' OG ' HD23 ' A' ' 16' ' ' LEU . 1.6 p -108.94 -177.33 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.9 tm? -137.65 119.99 15.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' HD13 ' A' ' 16' ' ' LEU . 4.8 m -70.03 84.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.95 128.36 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.016 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.596 ' CE1' HD11 ' A' ' 99' ' ' ILE . 6.1 m-85 -117.34 173.19 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.42 166.04 12.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.06 -33.45 73.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.518 2.146 . . . . 0.0 112.261 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.63 -25.87 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.999 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -56.68 143.52 35.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 94' ' ' VAL . 8.3 ttt-85 -89.13 -163.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.792 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -66.95 73.56 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.914 0.388 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' VAL . . . . . 0.464 HG21 ' CE2' ' A' ' 87' ' ' PHE . 20.1 t -70.02 152.07 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 159.29 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -59.01 -30.38 67.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.6 t -67.9 -29.04 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -63.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.8 mt -65.49 -20.82 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -80.97 -44.21 18.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.448 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.0 mt-10 -68.12 -50.19 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -41.33 86.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.037 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.441 ' O ' HG23 ' A' ' 107' ' ' THR . 32.6 t80 -61.06 -32.62 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.677 HD13 ' NH2' ' A' ' 120' ' ' ARG . 51.2 mt -77.51 -30.21 52.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -29.98 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 tpp -91.57 -23.58 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 113' ' ' LEU . 68.6 p -95.66 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.205 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 40.7 m80 52.76 66.97 1.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.927 0.394 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 t30 60.65 30.48 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.76 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.92 83.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.7 p -157.17 -45.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.033 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -133.98 112.29 11.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 113' ' ' LEU . 3.0 tm? -88.16 95.51 10.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.087 HD12 ' HB1' ' A' ' 47' ' ' ALA . 40.1 mt 61.32 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.73 33.32 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -145.64 117.32 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.5 p -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.796 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.0 pp -129.02 160.52 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.6 OUTLIER -77.52 156.41 30.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.637 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.677 ' NH2' HD13 ' A' ' 104' ' ' LEU . 35.3 ttt-85 -88.34 -47.92 8.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -57.76 -32.95 67.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.2 p -68.24 -31.08 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.785 HG22 ' HB2' ' A' ' 18' ' ' PHE . 24.8 t -65.46 138.54 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -171.04 135.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 125' ' ' VAL . 14.9 p -131.8 124.38 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.47 163.37 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.783 0.325 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -141.55 156.27 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.573 ' HB3' HD11 ' A' ' 84' ' ' LEU . 7.2 m-70 -125.92 121.04 32.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.428 ' O ' HD13 ' A' ' 84' ' ' LEU . 71.2 m-85 -109.27 106.51 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.77 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.8 m120 -51.48 111.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.823 HD13 ' SG ' ' A' ' 85' ' ' CYS . 19.8 tp -96.25 127.0 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -143.75 141.82 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 111.416 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.76 ' CD2' HD22 ' A' ' 118' ' ' LEU . 27.8 p90 -178.83 121.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.595 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.2 m -75.17 137.37 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 81' ' ' VAL . 22.0 mt -106.03 119.18 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -75.62 -24.65 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -92.57 45.36 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -161.6 89.55 1.51 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.75 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.4 126.84 16.25 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.486 2.124 . . . . 0.0 112.335 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -78.02 91.87 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -110.32 177.0 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.15 -30.5 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 77.4 m-20 -60.78 -30.09 69.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 29' ' ' ILE . 28.6 mm -90.15 12.87 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.43 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 20.71 7.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 111.184 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.53 109.02 1.83 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.657 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 50.8 Cg_exo -54.86 -21.56 26.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.426 2.084 . . . . 0.0 112.551 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.9 t -58.39 -28.52 65.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 p -86.54 164.97 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.803 HG22 ' HG3' ' A' ' 39' ' ' GLN . 3.7 m -83.1 -30.51 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -57.76 -38.74 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.113 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 58.4 t80 -70.26 -46.92 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.63 -31.37 68.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.803 ' HG3' HG22 ' A' ' 35' ' ' THR . 7.9 mt-30 -71.69 -57.62 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.409 HG22 HD11 ' A' ' 44' ' ' ILE . 18.8 m -57.43 -42.42 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.055 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -59.99 -50.77 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.68 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 40' ' ' THR . 18.3 mt -69.01 -50.48 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -38.12 81.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.38 -39.78 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 1.051 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.09 -38.49 85.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 51.0 mt -65.06 -49.54 69.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -31.26 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.45 -29.42 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.38 -40.55 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.1 m-85 -64.52 -44.36 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -28.12 60.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.63 -23.45 15.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.451 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 18.9 p -54.77 168.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.062 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -64.71 -31.63 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.781 HG23 ' OE2' ' A' ' 102' ' ' GLU . 33.9 pt -96.95 47.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -82.74 59.31 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.0 t -151.92 -46.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.53 -30.27 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -59.89 114.05 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -80.27 -68.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -177.3 179.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 158.27 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -124.46 96.79 5.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 66' ' ' VAL . 9.6 p -67.89 104.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD12 ' OD1' ' A' ' 82' ' ' ASP . 14.3 mt -72.39 -61.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.1 174.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -101.32 137.59 39.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.17 103.5 14.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.812 0.339 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -89.71 167.88 12.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.0 m -155.25 122.28 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.73 134.78 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.603 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 20' ' ' ILE . 51.3 t -103.24 125.16 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.518 ' OD1' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -110.43 84.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -109.8 172.8 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -134.42 111.81 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.823 ' SG ' HD13 ' A' ' 16' ' ' LEU . 15.0 m -70.92 75.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.48 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -70.96 155.12 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.477 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 15.6 m-85 -141.73 156.02 45.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 166.29 7.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.36 -40.64 7.87 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.545 2.163 . . . . 0.0 112.209 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.3 -28.74 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.57 100.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.55 30.51 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.76 69.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.8 100.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.83 159.47 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -66.59 -31.13 71.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.66 -27.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 -59.83 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.209 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.69 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.5 mt -65.61 -23.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.527 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.9 t80 -75.61 -43.5 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.36 -45.17 48.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.781 ' OE2' HG23 ' A' ' 57' ' ' ILE . 33.5 mt-10 -63.45 -30.62 71.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' PHE . . . . . 0.573 ' O ' HG23 ' A' ' 107' ' ' THR . 33.6 t80 -75.06 -40.0 60.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 100' ' ' TYR . 8.8 mt -71.75 -32.84 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.53 -34.02 76.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . 0.451 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 4.1 tpp -85.31 -22.23 28.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 113' ' ' LEU . 58.2 p -96.61 32.9 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 57.73 57.34 4.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.62 40.31 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.09 76.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.2 p -157.24 -45.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -137.0 115.36 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.246 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.3 tm? -85.81 94.87 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.632 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 1.051 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.6 mt 62.37 -79.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -133.96 42.4 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.404 ' HE1' HD23 ' A' ' 23' ' ' LEU . 37.9 m-85 -154.89 117.23 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.6 p -81.75 113.73 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.76 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.5 pp -128.02 160.05 33.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ASP . . . . . 0.636 ' O ' HD12 ' A' ' 118' ' ' LEU . 2.1 t70 -65.01 173.61 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -112.2 -49.9 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -38.23 80.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -59.57 -30.42 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 18' ' ' PHE . 19.7 t -63.26 139.38 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -165.52 126.3 1.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 125' ' ' VAL . 11.9 p -126.69 117.8 49.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.82 165.38 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m 60.47 99.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -114.93 31.24 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.16 -129.92 2.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 p 57.98 106.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -162.68 31.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.58 62.4 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -136.77 153.2 50.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.21 -52.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.82 164.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m 60.81 159.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.15 152.4 48.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.645 ' HB3' HD11 ' A' ' 84' ' ' LEU . 3.7 m80 -121.52 129.82 53.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' O ' HD22 ' A' ' 84' ' ' LEU . 37.2 m-85 -115.37 133.93 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.4 m120 -78.94 110.62 14.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.821 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.1 tp -96.27 127.38 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -143.4 139.59 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 111.474 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.923 ' HB2' HG22 ' A' ' 123' ' ' VAL . 22.3 p90 -178.11 113.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.558 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -69.45 137.29 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.362 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 81' ' ' VAL . 44.8 mt -106.11 103.37 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 p -55.53 -25.26 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.76 51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.0 0.429 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.604 HD23 ' HE2' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -169.94 95.68 0.49 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.13 143.71 60.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.447 2.098 . . . . 0.0 112.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 16.6 t80 -85.99 87.83 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -93.75 177.27 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.7 -32.76 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.842 ' HA ' HG21 ' A' ' 34' ' ' THR . 73.6 m-20 -62.27 -45.12 94.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.452 HD11 ' HG3' ' A' ' 36' ' ' LYS . 39.4 mm -63.52 -17.27 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.09 -27.47 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 34' ' ' THR . 2.9 mm100 -111.56 120.43 42.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.6 Cg_exo -62.05 -12.86 28.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.493 2.128 . . . . 0.0 112.789 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -93.01 35.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.787 0.327 . . . . 0.0 111.267 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.842 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.4 p -125.55 170.15 11.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -82.27 -46.84 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.452 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.55 -27.11 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 25.3 t80 -79.69 -59.17 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -57.96 -42.66 85.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -59.44 -60.44 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.3 m -59.87 -35.96 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.06 -44.02 95.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -82.92 -31.13 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -59.94 -50.52 73.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.36 -46.03 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.58 -31.87 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -75.54 -38.24 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.773 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.998 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -69.03 -35.71 76.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.4 -32.16 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.39 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.86 -20.23 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' O ' ' HE3' ' A' ' 106' ' ' MET . 8.9 tt -76.65 -35.44 57.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 23.6 m-85 -66.43 -53.35 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.995 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -55.62 -24.07 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -93.69 -27.66 16.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.424 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 80.9 p -59.02 170.55 0.84 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 t -69.96 -29.7 66.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.2 pt -93.56 46.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -87.66 53.73 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.72 -46.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.787 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.571 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 53.7 m-85 -92.8 -31.0 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 10.5 t80 -73.0 119.41 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.74 -73.82 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -160.47 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.15 159.26 23.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -128.1 101.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.613 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.6 p -73.02 97.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.55 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.13 -165.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -121.63 146.0 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mmm-85 -116.79 151.81 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 30.7 t -101.27 99.72 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.32 153.84 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.154 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 m -81.8 -172.41 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.3 t30 69.13 -66.73 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.61 137.17 54.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.784 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -98.83 29.28 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -110.61 27.36 9.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.4 m-70 -136.88 -175.34 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.8 m -158.13 122.15 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.12 114.33 3.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.354 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 20' ' ' ILE . 33.5 t -78.95 112.61 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.314 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.08 85.32 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.48 178.27 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -138.02 104.78 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.871 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.821 ' SG ' HD13 ' A' ' 16' ' ' LEU . 21.3 m -66.71 75.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -68.82 149.22 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CE2' HG11 ' A' ' 94' ' ' VAL . 7.3 m-85 -129.4 178.55 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.82 166.06 14.71 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.15 -27.87 73.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.506 2.137 . . . . 0.0 112.214 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.33 -31.08 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -61.51 113.67 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.36 -41.61 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -100.04 80.98 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.52 HG11 ' CE2' ' A' ' 87' ' ' PHE . 26.9 t -133.51 122.19 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.024 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.48 168.21 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.1 mtm-85 -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.65 -25.79 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.213 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.04 -62.96 1.31 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.753 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.8 mt -65.9 -24.32 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 104' ' ' LEU . 64.6 t80 -70.79 -42.7 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.15 -36.41 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.065 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.53 -29.63 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -83.94 -30.01 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 100' ' ' TYR . 30.5 mt -74.87 -32.34 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -39.07 90.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.158 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.424 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 2.5 tpp -81.92 -26.81 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.692 HG22 HD23 ' A' ' 113' ' ' LEU . 73.4 p -94.59 20.74 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.29 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.8 m170 51.3 67.73 0.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 61.11 31.19 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.85 67.56 2.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.435 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -137.42 -46.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.682 0.277 . . . . 0.0 111.027 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.489 ' HG3' HG22 ' A' ' 117' ' ' THR . 5.5 tt0 -131.59 103.35 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.0 tm? -87.75 88.09 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.998 HD12 ' HB1' ' A' ' 47' ' ' ALA . 35.5 mt 61.52 -80.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.084 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 11.1 t-20 -134.1 33.54 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.604 ' HE2' HD23 ' A' ' 23' ' ' LEU . 29.1 m-85 -148.53 98.08 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.489 HG22 ' HG3' ' A' ' 112' ' ' GLN . 22.7 p -66.02 118.51 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -131.89 159.55 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.014 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.655 ' O ' HD12 ' A' ' 118' ' ' LEU . 1.3 t70 -72.79 172.78 10.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.205 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.409 ' HG3' HD22 ' A' ' 104' ' ' LEU . 5.3 ttp85 -109.66 -50.23 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -58.84 -35.1 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 100.0 p -64.89 -35.01 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.813 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 18' ' ' PHE . 21.3 t -60.21 147.43 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -173.96 136.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -122.26 136.63 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.8 -172.2 3.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.5 p -101.56 125.46 48.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -68.22 -81.0 0.2 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.01 105.99 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.679 2.253 . . . . 0.0 112.23 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.44 27.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.91 82.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.44 -47.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.783 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t -162.29 -47.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.778 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.66 -106.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -83.38 72.55 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.805 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -91.38 -53.8 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.57 -130.68 5.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m 59.9 31.53 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.7 t 59.96 72.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -99.7 31.45 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.5 141.78 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.03 155.71 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.8 ' HB3' HD11 ' A' ' 84' ' ' LEU . 64.9 m170 -124.51 147.37 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 94' ' ' VAL . 38.5 m-85 -137.7 126.74 24.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.738 ' O ' HG23 ' A' ' 125' ' ' VAL . 1.7 t-20 -66.53 114.23 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.833 HD13 ' SG ' ' A' ' 85' ' ' CYS . 27.4 tp -96.26 129.29 43.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -148.18 144.27 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.037 0.446 . . . . 0.0 111.359 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.899 ' HB2' HG22 ' A' ' 123' ' ' VAL . 19.7 p90 -176.61 113.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.464 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -67.89 131.17 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.579 HG22 ' H ' ' A' ' 22' ' ' ASN . 22.2 mt -105.04 133.19 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.422 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 50.8 p -97.74 30.05 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.579 ' H ' HG22 ' A' ' 20' ' ' ILE . 40.5 t30 -123.27 -42.99 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -78.31 112.38 25.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.46 112.91 3.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' HG23 ' A' ' 79' ' ' THR . 8.0 t80 -69.2 130.23 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 m -143.38 -173.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.48 -50.05 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.734 HD11 ' CE ' ' A' ' 36' ' ' LYS . 39.6 mm -72.61 -19.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.323 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.74 30.22 2.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.03 106.33 1.02 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.76 64.22 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.479 2.119 . . . . 0.0 112.291 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -165.37 31.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 p -134.88 176.29 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 m -83.02 -34.0 26.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.734 ' CE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -71.12 -32.74 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -63.61 -59.49 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.96 -28.93 67.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -57.25 -65.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.406 HG21 ' HG ' ' A' ' 23' ' ' LEU . 22.6 m -67.05 -30.64 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.033 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HG2' HG11 ' A' ' 66' ' ' VAL . 17.0 tttm -58.25 -33.5 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -31.74 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -52.21 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.555 HD12 ' CE1' ' A' ' 69' ' ' PHE . 44.2 mt -62.97 -45.08 99.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.022 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.31 -29.85 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -75.73 -44.72 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.015 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -63.43 -34.05 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 55.0 mt -71.13 -33.65 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -63.41 -59.73 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.023 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -56.31 -30.21 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.643 HD12 HD21 ' A' ' 113' ' ' LEU . 5.4 tt -63.96 -45.05 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 10.1 m-85 -61.45 -29.9 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -27.22 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -96.79 25.71 5.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -122.92 170.67 9.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -59.66 -32.38 70.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.5 pt -94.38 46.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -94.52 43.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -136.2 -46.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 24.4 m-85 -91.21 -32.23 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 1.8 t80 -60.62 133.93 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.74 -70.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -161.87 -171.49 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 25.9 p -123.17 174.83 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -144.23 100.29 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.595 ' O ' HG13 ' A' ' 66' ' ' VAL . 8.3 p -71.68 105.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.551 HD12 ' OD1' ' A' ' 82' ' ' ASP . 18.3 mt -71.43 -58.3 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.99 -177.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 44' ' ' ILE . 63.9 m-85 -115.32 131.41 56.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -78.86 157.43 28.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.9 t -92.57 145.02 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.4 m -128.96 81.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 m -65.71 -20.87 66.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -53.53 -56.35 17.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.79 0.329 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -110.2 -24.88 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 61.22 20.25 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.067 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -122.0 -35.67 3.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 8.7 m170 -80.18 -179.08 6.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.775 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.43 HG23 ' CD1' ' A' ' 25' ' ' TYR . 86.1 m -152.47 113.06 4.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.06 117.43 9.13 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.656 HG11 ' CE1' ' A' ' 18' ' ' PHE . 61.9 t -80.68 136.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.551 ' OD1' HD12 ' A' ' 67' ' ' LEU . 1.6 t70 -128.14 74.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.557 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -97.88 176.13 5.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.98 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.3 tm? -133.51 106.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.833 ' SG ' HD13 ' A' ' 16' ' ' LEU . 57.9 m -65.43 78.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.655 ' ND2' HD12 ' A' ' 84' ' ' LEU . 20.3 m-80 -75.36 139.36 42.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.0 m-85 -120.72 174.06 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.49 165.41 16.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.77 -27.78 68.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.569 2.18 . . . . 0.0 112.282 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.89 -28.25 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.2 156.42 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.185 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.12 128.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.58 71.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 27.7 t -124.15 103.16 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.49 151.52 45.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -31.25 72.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -66.2 -29.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -57.5 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.707 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.4 mt -61.32 -27.87 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 104' ' ' LEU . 71.8 t80 -72.0 -49.42 37.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 104' ' ' LEU . 4.6 mt-10 -59.91 -53.04 62.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.45 -29.41 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 107' ' ' THR . 80.1 t80 -72.67 -46.09 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.787 HD11 ' CE2' ' A' ' 100' ' ' TYR . 3.0 mt -61.27 -45.03 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -54.65 44.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.465 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.1 ttp -64.57 -27.9 69.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.321 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.688 HG22 HD23 ' A' ' 113' ' ' LEU . 80.4 p -94.63 20.0 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 52.32 70.2 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.53 34.16 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.46 61.21 7.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.586 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.3 p -127.38 -44.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.091 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -139.18 111.05 7.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -95.19 96.73 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.015 HD12 ' HB1' ' A' ' 47' ' ' ALA . 53.3 mt 61.84 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 113' ' ' LEU . 14.1 t-20 -141.9 38.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -148.03 93.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -60.7 117.23 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.788 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.19 160.46 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.4 OUTLIER -81.05 160.36 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 -179.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.559 ' HG3' HD22 ' A' ' 104' ' ' LEU . 9.1 ttp180 -98.68 -33.09 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.206 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 t -88.67 -31.21 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.899 HG22 ' HB2' ' A' ' 18' ' ' PHE . 26.5 t -59.27 139.27 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 18.8 t80 -174.01 152.28 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 15' ' ' ASN . 9.7 p -145.24 126.57 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.53 177.53 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.794 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.8 103.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.43 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -70.39 -61.29 4.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.651 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 18.6 Cg_endo -60.19 110.65 0.81 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.61 2.206 . . . . 0.0 112.305 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.3 t -176.31 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -168.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.527 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -107.1 32.22 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 p -75.23 120.31 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.07 -56.36 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.584 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -83.95 89.48 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.1 107.16 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.93 70.58 0.74 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.552 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 m -81.82 -31.35 31.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.89 57.26 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -160.39 145.75 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.76 161.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -144.74 155.24 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.707 ' HB3' HD11 ' A' ' 84' ' ' LEU . 4.8 m-70 -119.61 144.96 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -130.08 102.69 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.58 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -53.89 112.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.381 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.85 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.2 tp -97.45 129.08 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.038 0.447 . . . . 0.0 111.305 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.628 ' CD2' HD22 ' A' ' 118' ' ' LEU . 24.5 p90 -177.03 116.86 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.665 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -76.59 139.44 40.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.283 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 81' ' ' VAL . 20.7 mt -105.13 101.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.1 p -58.98 -28.25 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -73.13 -37.16 66.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' H ' HG22 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -87.92 109.56 28.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.29 174.19 13.23 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.425 2.083 . . . . 0.0 112.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 2.5 t80 -123.65 100.59 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -100.84 179.8 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -30.52 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HA ' HG21 ' A' ' 34' ' ' THR . 55.9 m-20 -59.05 -44.12 91.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 36' ' ' LYS . 35.5 mm -63.0 -17.96 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.43 -19.67 38.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.417 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -124.04 110.38 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.999 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.3 Cg_exo -54.16 -24.6 34.13 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.478 2.119 . . . . 0.0 112.348 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -56.09 -30.74 62.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 28' ' ' ASP . 51.0 p -76.89 165.32 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.5 m -82.98 -31.37 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.61 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -55.55 -30.03 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 64.6 t80 -75.26 -48.56 22.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -68.8 -41.19 79.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.83 -60.54 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.455 HG21 HD11 ' A' ' 23' ' ' LEU . 4.4 m -60.66 -46.25 91.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -57.67 -37.29 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -82.2 -29.64 31.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -53.57 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.002 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 69' ' ' PHE . 45.2 mt -61.32 -43.74 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -60.64 -30.39 69.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.15 -45.28 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.913 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -59.1 -40.23 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 30.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.78 -45.61 93.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -52.56 57.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -49.74 -34.56 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 64' ' ' CYS . 21.4 m-85 -62.86 -61.71 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -26.66 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -80.01 -29.7 39.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -60.78 165.99 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 t -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.5 pt -93.62 45.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -86.18 55.5 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -153.13 -47.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.645 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.3 m-85 -86.09 -30.52 22.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.795 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.9 t80 -61.49 119.76 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -84.48 -63.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.09 -179.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -118.07 164.55 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.4 108.04 6.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.639 ' O ' HG13 ' A' ' 66' ' ' VAL . 9.3 p -75.91 98.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' OD1' ' A' ' 82' ' ' ASP . 34.1 mt -58.83 -57.72 11.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.17 177.2 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 44' ' ' ILE . 61.9 m-85 -106.9 147.01 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -98.22 130.92 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -85.41 128.92 34.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 78' ' ' HIS . 31.2 m -107.68 138.92 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -110.96 -25.08 10.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -69.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -88.8 -29.24 19.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.93 27.69 16.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -142.91 18.25 1.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.501 ' HB2' HG21 ' A' ' 72' ' ' VAL . 3.7 m-70 -122.55 -175.74 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.774 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.5 m -163.99 117.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 140.34 37.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.302 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 20' ' ' ILE . 23.7 t -112.25 87.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.395 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' HD12 ' A' ' 67' ' ' LEU . 2.0 t0 -84.66 85.16 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.452 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.603 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.73 -176.47 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.598 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.4 tm? -140.63 101.46 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.85 ' SG ' HD13 ' A' ' 16' ' ' LEU . 11.9 m -67.87 75.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.406 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.567 ' CG ' HD12 ' A' ' 84' ' ' LEU . 10.9 m-20 -69.83 155.59 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.168 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 99' ' ' ILE . 12.0 m-85 -139.72 153.26 47.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.65 167.0 40.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.11 -26.9 36.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.74 -29.65 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.645 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.46 166.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -170.33 126.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.52 44.84 6.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -85.2 89.96 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.8 148.69 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -59.29 -32.62 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 101' ' ' GLU . 18.7 t -59.78 -27.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -62.05 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.4 mt -67.93 -24.95 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.548 ' CE2' HD11 ' A' ' 104' ' ' LEU . 46.6 t80 -74.73 -42.7 57.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.643 ' HG3' HG12 ' A' ' 97' ' ' VAL . 2.7 mt-10 -75.29 -53.78 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.79 -29.97 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.548 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -60.69 -52.64 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.33 74.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.301 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.3 tpp -72.1 -28.91 63.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.78 HG22 HD23 ' A' ' 113' ' ' LEU . 49.2 p -92.4 14.76 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.45 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.6 m80 56.08 79.28 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.239 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 m120 57.9 28.83 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.324 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.405 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 56.85 40.96 90.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 p -120.02 -33.03 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.613 0.244 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.28 115.49 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.78 HD23 HG22 ' A' ' 107' ' ' THR . 2.1 tm? -99.54 96.56 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.619 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.913 HD12 ' HB1' ' A' ' 47' ' ' ALA . 26.8 mt 62.13 -80.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.02 29.96 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CE1' HD23 ' A' ' 23' ' ' LEU . 40.6 m-85 -142.32 107.7 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p -71.2 113.79 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 119' ' ' ASP . 4.1 pp -124.91 159.31 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.666 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -64.61 157.41 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.037 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -51.64 4.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.789 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.6 t -67.18 -31.18 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 18' ' ' PHE . 27.6 t -63.72 123.23 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.91 127.92 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 125' ' ' VAL . 12.2 p -121.3 109.72 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -115.11 156.29 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m -66.12 96.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.04 -178.59 1.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.519 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.77 159.87 27.88 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.705 2.27 . . . . 0.0 112.434 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 m 59.37 98.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.8 t -131.3 -46.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.534 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -99.46 122.24 42.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -74.96 96.13 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.2 106.53 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -134.77 -46.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 p -56.87 115.81 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.33 27.34 4.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.404 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m -75.35 124.51 27.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m 60.39 -177.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -143.9 31.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p -111.63 174.98 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -134.84 139.21 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.658 ' HB3' HD11 ' A' ' 84' ' ' LEU . 12.0 m-70 -126.02 132.1 52.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.03 113.15 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.582 ' O ' HG23 ' A' ' 125' ' ' VAL . 2.3 m120 -56.61 115.62 2.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.779 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.9 tp -100.67 120.89 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.715 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -136.36 139.71 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.313 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' A' ' 118' ' ' LEU . 25.4 p90 -178.23 115.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.462 HG23 ' C ' ' A' ' 79' ' ' THR . 90.9 m -72.88 137.3 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.573 HD11 HG21 ' A' ' 81' ' ' VAL . 19.6 mt -102.5 101.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.4 p -55.37 -27.86 50.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -92.95 49.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -161.78 87.89 1.53 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.46 151.02 25.06 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.615 2.21 . . . . 0.0 112.26 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 35.4 t80 -108.47 114.66 28.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -126.01 176.26 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.71 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.12 -48.26 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.73 HD11 ' HG2' ' A' ' 36' ' ' LYS . 32.4 mm -68.09 -14.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.03 -23.43 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -110.81 108.18 57.87 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 15.3 Cg_exo -67.75 61.91 0.88 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.668 2.245 . . . . 0.0 112.216 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 t -143.89 -41.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.3 p -65.91 178.03 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -31.04 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.73 ' HG2' HD11 ' A' ' 29' ' ' ILE . 1.3 tttm -60.01 -37.37 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.421 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.8 t80 -72.82 -38.67 67.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.43 -30.35 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -55.91 8.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 m -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG3' HG11 ' A' ' 66' ' ' VAL . 16.2 tttt -57.79 -36.47 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -37.03 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -53.66 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.32 -43.98 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -32.06 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.767 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.56 -40.63 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.031 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -66.3 -33.17 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 46.1 mt -74.55 -31.83 62.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.86 -58.24 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -60.98 -31.05 70.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.69 -41.18 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 11.5 m-85 -70.36 -33.23 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -95.49 -25.66 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.7 p -55.44 169.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -30.07 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.458 HD12 ' CE2' ' A' ' 87' ' ' PHE . 13.0 pt -99.72 48.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 57.1 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 p -144.9 -47.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.563 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.8 m-85 -106.82 24.37 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -110.33 106.06 15.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.842 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.9 t -67.45 -69.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.52 -171.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.72 139.84 47.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -112.73 91.98 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.794 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 66' ' ' VAL . 10.4 p -61.54 109.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.8 -61.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.87 174.21 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.89 150.8 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -118.2 161.68 19.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.408 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . 21.5 t -114.97 101.64 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 78' ' ' HIS . 15.3 m -59.74 -30.43 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.18 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t 60.03 36.94 21.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.33 -73.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -114.16 14.99 18.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.8 m120 53.43 29.41 8.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -141.86 24.55 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.52 ' HB2' HG21 ' A' ' 72' ' ' VAL . 15.6 m-70 -135.79 164.56 27.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' HG23 ' A' ' 19' ' ' THR . 45.4 m -146.85 129.41 15.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.42 116.58 4.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 20' ' ' ILE . 37.4 t -83.86 127.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -115.88 79.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.435 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.459 ' OG ' HD23 ' A' ' 16' ' ' LEU . 3.5 p -103.64 172.52 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.7 tm? -128.47 108.41 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.813 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' HD13 ' A' ' 16' ' ' LEU . 2.3 m -66.18 79.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.536 ' CG ' HD12 ' A' ' 84' ' ' LEU . 29.5 m-80 -73.23 145.51 46.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 99' ' ' ILE . 11.1 m-85 -133.78 158.45 43.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -72.91 146.39 87.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 88' ' ' SER . 25.7 Cg_exo -61.82 -25.86 78.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.559 2.173 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.34 -25.98 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -85.49 161.15 19.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -164.47 31.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 30.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.13 137.33 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.03 163.68 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.701 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -59.82 -34.02 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.38 -40.12 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.82 80.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.608 HD13 ' CE1' ' A' ' 87' ' ' PHE . 13.8 mt -71.08 -29.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.503 ' HE1' HG12 ' A' ' 123' ' ' VAL . 81.0 t80 -76.17 -44.11 39.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.44 -53.95 47.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.037 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 107' ' ' THR . 41.3 t80 -71.27 -34.13 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 100' ' ' TYR . 24.2 mt -64.25 -45.88 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -54.56 -59.78 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.404 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpp -59.12 -27.88 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.267 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.67 HG22 HD23 ' A' ' 113' ' ' LEU . 69.5 p -93.44 16.23 13.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.321 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.1 m80 53.78 67.05 1.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.5 t30 63.56 35.61 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.79 58.04 16.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.9 p -142.09 -43.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.273 . . . . 0.0 111.33 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -127.02 100.58 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -82.96 95.2 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.031 HD12 ' HB1' ' A' ' 47' ' ' ALA . 82.5 mt 59.96 -82.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -133.92 26.17 3.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.56 103.48 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.5 p -71.32 113.42 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -124.53 159.98 29.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.744 ' O ' HD12 ' A' ' 118' ' ' LEU . 5.3 t0 -59.78 171.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -111.22 -53.18 2.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -58.71 -34.25 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 p -65.94 -31.25 72.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.503 HG12 ' HE1' ' A' ' 100' ' ' TYR . 17.9 t -62.19 133.78 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -168.7 158.15 8.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.701 HG13 ' HB2' ' A' ' 96' ' ' ARG . 9.7 p -152.04 130.08 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.48 170.58 11.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.8 t -75.81 95.34 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -73.63 164.46 54.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -57.89 166.56 5.19 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.683 2.255 . . . . 0.0 112.221 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.5 t -166.95 -45.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.01 -48.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.529 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -112.6 140.01 47.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.38 -78.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 87.99 1.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.87 -39.99 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.758 0.313 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -60.5 -173.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.57 43.56 0.24 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.586 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.6 t -165.66 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.365 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -123.09 -177.02 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.24 80.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p -97.42 176.37 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.8 136.38 11.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.596 ' HB3' HD11 ' A' ' 84' ' ' LEU . 8.6 m80 -128.24 109.53 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.18 116.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.737 ' O ' HG23 ' A' ' 125' ' ' VAL . 0.5 OUTLIER -58.45 120.14 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.829 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.6 tp -98.61 127.61 44.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -141.69 137.13 31.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 0.0 111.601 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.756 ' CD2' HD22 ' A' ' 118' ' ' LEU . 29.0 p90 -177.69 113.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.512 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.534 HG21 HG11 ' A' ' 72' ' ' VAL . 93.4 m -71.93 140.54 49.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 81' ' ' VAL . 29.4 mt -106.96 140.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -102.15 38.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -151.63 36.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.693 ' HG ' HG21 ' A' ' 40' ' ' THR . 0.5 OUTLIER -152.61 100.54 2.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.76 140.58 47.01 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.35 2.033 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.75 109.37 22.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.92 -169.6 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.27 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.722 ' HA ' HG21 ' A' ' 34' ' ' THR . 5.4 m-20 -59.88 -44.72 94.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.635 HD11 ' HG2' ' A' ' 36' ' ' LYS . 36.2 mm -66.54 -13.94 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.41 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.26 -22.09 22.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.01 107.84 47.28 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.2 Cg_exo -52.94 -26.62 32.19 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.473 2.115 . . . . 0.0 112.41 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -58.38 -30.03 66.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.722 HG21 ' HA ' ' A' ' 28' ' ' ASP . 10.3 p -73.17 165.9 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.535 HG22 ' HG3' ' A' ' 39' ' ' GLN . 64.5 m -83.05 -34.33 26.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -54.09 -32.87 56.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE1' ' HD2' ' A' ' 41' ' ' LYS . 59.7 t80 -74.28 -55.87 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.535 ' HG3' HG22 ' A' ' 35' ' ' THR . 0.1 OUTLIER -53.64 -59.85 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.345 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.693 HG21 ' HG ' ' A' ' 23' ' ' LEU . 7.2 m -66.59 -41.28 88.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.68 ' HG2' HG11 ' A' ' 66' ' ' VAL . 16.3 tttt -57.77 -39.19 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.237 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -29.65 27.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.148 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.038 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 69' ' ' PHE . 46.1 mt -64.05 -47.24 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -46.44 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.24 -41.66 93.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.715 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.022 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -64.79 -41.29 95.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 81.6 mt -70.61 -29.35 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -59.59 4.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -61.19 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' HE2' ' A' ' 106' ' ' MET . 4.2 tt -58.83 -50.32 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 61' ' ' PHE . 8.8 m-85 -64.24 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -72.56 -28.85 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -113.6 31.05 6.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.1 p -108.08 165.25 11.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -59.16 -32.2 69.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.8 pt -107.33 52.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.16 28.17 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -116.3 -31.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 91' ' ' ALA . 44.1 m-85 -109.04 -30.06 8.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.057 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 t80 -59.06 127.55 32.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -64.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -173.78 -169.33 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 28.2 p -122.9 146.35 47.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -124.06 103.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.68 HG11 ' HG2' ' A' ' 41' ' ' LYS . 8.9 p -72.71 105.06 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.63 -55.81 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.79 179.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 44' ' ' ILE . 66.0 m-85 -113.4 127.5 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -97.17 160.12 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 t -106.82 116.17 31.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 78' ' ' HIS . 5.6 m -58.87 -31.11 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.5 m 59.79 29.95 19.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -100.07 -50.65 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -133.04 10.64 4.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.347 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.8 m120 54.97 38.53 30.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -137.61 -51.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.687 ' HB2' HG21 ' A' ' 72' ' ' VAL . 10.9 m-70 -69.96 161.96 28.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' THR . 68.2 m -142.8 143.52 32.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.89 130.9 10.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 20' ' ' ILE . 33.9 t -97.03 97.17 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.7 81.08 5.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.698 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.428 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -99.79 -178.39 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.8 tm? -137.81 112.42 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.829 ' SG ' HD13 ' A' ' 16' ' ' LEU . 63.6 m -70.05 78.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.435 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -66.47 141.19 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 99' ' ' ILE . 5.9 m-85 -128.82 158.76 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.679 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.1 164.47 36.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.02 -32.23 76.07 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.535 2.157 . . . . 0.0 112.165 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.35 -21.74 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . . . -49.34 128.77 17.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.462 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -138.7 134.49 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.34 75.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 t -130.92 151.97 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.7 158.43 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.95 -30.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.66 -62.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.712 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.7 mt -62.28 -23.64 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.557 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.7 t80 -72.99 -44.71 60.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.14 -45.84 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -29.58 66.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 107' ' ' THR . 43.7 t80 -76.93 -46.56 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.007 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 100' ' ' TYR . 19.1 mt -63.91 -36.3 83.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -66.01 -28.15 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.205 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.45 ' HE2' ' HG ' ' A' ' 51' ' ' LEU . 2.8 tpp -93.98 -26.1 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.225 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.546 HG22 HD23 ' A' ' 113' ' ' LEU . 61.2 p -96.57 25.58 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.302 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 53.23 66.39 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 111.183 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 61.25 34.63 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.468 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 57.1 44.32 93.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.621 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 p -115.24 -30.01 6.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.619 ' OE1' HG23 ' A' ' 117' ' ' THR . 0.6 OUTLIER -145.59 127.73 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.085 -179.802 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 113' ' ' LEU . 3.2 tm? -104.71 89.08 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.364 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.022 HD12 ' HB1' ' A' ' 47' ' ' ALA . 25.4 mt 61.86 -79.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.81 30.63 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -138.95 99.41 3.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.01 117.37 7.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.756 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.0 pp -134.84 159.17 42.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.999 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -75.45 163.59 27.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 -179.648 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.44 ' HG3' HD22 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -97.0 -45.46 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.765 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.48 -35.85 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.2 p -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 18' ' ' PHE . 30.3 t -59.98 144.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 11.4 t80 -174.03 142.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 15' ' ' ASN . 12.8 p -141.77 134.8 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.04 -169.26 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.24 92.68 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.79 -120.43 12.58 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.57 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.36 164.44 32.53 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.452 2.101 . . . . 0.0 112.385 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.94 142.44 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.08 119.11 38.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.556 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.6 p -158.66 78.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.37 -51.89 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.15 -172.43 17.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m 69.16 -66.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.348 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t -58.56 -66.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.63 -132.35 10.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.04 -176.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.8 178.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.2 m 60.68 168.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p 59.22 161.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.88 156.57 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.534 ' HB3' HD11 ' A' ' 84' ' ' LEU . 15.5 m-70 -128.44 130.56 47.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.16 109.7 14.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.1 t-20 -54.65 110.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.059 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.755 HD13 ' SG ' ' A' ' 85' ' ' CYS . 21.4 tp -95.2 130.48 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -151.15 144.7 24.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.961 0.41 . . . . 0.0 111.3 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.755 ' CD2' HD22 ' A' ' 118' ' ' LEU . 25.6 p90 -178.37 120.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.73 131.25 44.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 81' ' ' VAL . 30.6 mt -101.84 103.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.047 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -60.54 -29.99 69.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -88.79 53.58 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.63 100.07 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 142.91 46.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.487 2.125 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -96.16 93.34 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -97.15 -175.37 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -70.43 -31.22 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -61.64 -45.86 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.451 HD11 ' HG2' ' A' ' 36' ' ' LYS . 44.4 mm -58.3 -23.43 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.47 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.205 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.02 115.84 56.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 32.3 Cg_exo -58.3 -18.42 37.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.577 2.184 . . . . 0.0 112.623 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -95.35 36.97 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.7 p -116.78 171.24 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -79.65 -48.46 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -58.98 -29.49 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 34.4 t80 -79.5 -55.36 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.43 -32.56 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -69.08 -56.98 6.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.511 HG22 HD11 ' A' ' 44' ' ' ILE . 15.4 m -63.55 -36.97 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -62.6 -41.49 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.14 68.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -45.12 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.511 HD11 HG22 ' A' ' 40' ' ' THR . 11.5 mt -69.25 -49.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.12 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -79.17 -42.16 26.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.66 -40.09 92.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 91.6 mt -70.88 -30.59 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -65.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -60.0 -28.83 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.96 -43.2 91.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 13.2 m-85 -69.47 -45.76 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -59.63 -26.69 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -112.24 34.11 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p -109.03 -176.53 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -78.22 -29.89 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.411 HD12 ' CE2' ' A' ' 87' ' ' PHE . 27.3 pt -109.34 53.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -93.22 30.96 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.49 -35.41 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.574 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 30.4 m-85 -106.52 -24.82 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.7 t80 -57.2 144.36 35.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -109.01 -71.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -171.25 175.41 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.31 170.71 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -149.2 82.21 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.629 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.7 p -63.44 97.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.9 165.14 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -85.75 169.19 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -135.53 123.27 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p -59.0 175.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.23 151.56 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.5 p -113.39 -35.52 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.04 -48.82 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -137.28 105.15 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -63.66 82.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -177.45 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -58.33 158.79 6.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.9 m -133.31 131.03 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.16 128.08 8.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 20' ' ' ILE . 45.9 t -94.12 137.39 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.1 79.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.426 ' OG ' HD23 ' A' ' 16' ' ' LEU . 3.9 p -106.08 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.086 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 85' ' ' CYS . 1.1 tm? -131.44 122.38 26.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.755 ' SG ' HD13 ' A' ' 16' ' ' LEU . 4.6 m -82.63 76.8 9.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.625 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.421 ' CG ' HD12 ' A' ' 84' ' ' LEU . 55.9 m-20 -71.91 148.44 46.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.011 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CE1' HD13 ' A' ' 99' ' ' ILE . 10.9 m-85 -133.73 165.65 24.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.87 151.22 86.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.65 -22.47 50.5 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.563 2.175 . . . . 0.0 112.42 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.42 -34.61 69.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -64.81 159.01 23.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.25 31.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.54 37.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -89.6 143.3 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.23 152.28 40.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -59.89 -31.92 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.444 HG12 ' HG3' ' A' ' 101' ' ' GLU . 28.3 t -71.1 -32.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.06 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.541 HD13 ' CE1' ' A' ' 87' ' ' PHE . 13.1 mt -75.4 -30.3 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HE1' HG12 ' A' ' 123' ' ' VAL . 55.5 t80 -74.16 -39.14 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.444 ' HG3' HG12 ' A' ' 97' ' ' VAL . 6.3 mt-10 -72.37 -48.0 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -58.36 -31.45 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.09 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.78 ' CE2' HG21 ' A' ' 107' ' ' THR . 64.4 t80 -77.09 -29.62 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 100' ' ' TYR . 57.1 mt -72.36 -26.47 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -32.03 65.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.38 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.0 tpp -94.04 -24.2 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.517 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.783 HG22 HD23 ' A' ' 113' ' ' LEU . 71.0 p -93.76 19.09 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.433 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.0 m80 52.96 68.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.9 0.381 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 61.2 28.45 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.989 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.83 40.59 95.63 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.589 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -118.84 -33.43 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.659 0.266 . . . . 0.0 111.272 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -140.76 117.06 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.185 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.783 HD23 HG22 ' A' ' 107' ' ' THR . 1.9 tm? -90.87 86.43 6.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.613 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.673 HD12 ' HB1' ' A' ' 47' ' ' ALA . 36.0 mt 60.98 -80.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 113' ' ' LEU . 10.4 t30 -129.21 30.49 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.56 94.49 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.7 p -64.98 114.7 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.755 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.9 pp -131.94 159.86 37.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -69.9 167.42 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.008 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -104.62 -41.91 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.783 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -25.66 67.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 p -74.92 -34.56 62.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 18' ' ' PHE . 22.5 t -59.57 139.07 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -167.6 132.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.34 131.07 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.08 178.46 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.78 78.4 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.62 173.59 5.59 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.544 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.26 -46.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.871 2.381 . . . . 0.0 112.438 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.9 p -177.11 157.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.8 t -132.57 133.78 44.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -138.55 178.49 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.326 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -77.31 107.82 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 137.77 22.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.547 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -72.44 -38.76 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -97.32 39.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.47 -172.76 13.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -40.06 45.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.831 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t 60.85 37.86 18.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 m -137.22 31.26 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.34 172.11 10.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -142.71 161.66 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 84' ' ' LEU . 12.8 m-70 -128.79 117.53 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.433 ' O ' HD13 ' A' ' 84' ' ' LEU . 33.3 m-85 -108.82 108.29 19.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.767 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.7 t30 -54.27 110.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.309 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.784 HD13 ' SG ' ' A' ' 85' ' ' CYS . 19.1 tp -96.12 125.3 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.405 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -141.45 132.46 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 111.64 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.87 ' HB2' HG22 ' A' ' 123' ' ' VAL . 23.9 p90 -168.96 112.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 m -70.34 137.18 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.571 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 81' ' ' VAL . 17.5 mt -110.8 111.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.876 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 p -70.7 -25.21 62.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -70.08 -18.34 63.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 HG23 ' A' ' 40' ' ' THR . 0.4 OUTLIER -99.98 99.37 9.06 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 111.012 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.28 123.94 9.56 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.571 2.181 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.29 93.89 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.25 -175.4 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.85 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.82 -39.29 93.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.764 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.532 HD11 ' HG3' ' A' ' 36' ' ' LYS . 33.5 mm -67.31 -14.36 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.384 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.25 30.47 2.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -169.46 98.69 0.49 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.805 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.32 -25.76 10.5 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.53 2.153 . . . . 0.0 112.502 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -57.41 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -79.62 166.72 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -83.08 -29.25 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.532 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.8 tptm -57.67 -32.39 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -76.91 -41.8 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.57 -35.48 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -69.93 -49.74 48.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.653 HG23 HD21 ' A' ' 23' ' ' LEU . 62.5 m -67.53 -31.1 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -73.13 -33.38 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.51 -37.87 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.8 t -59.78 -52.31 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.59 -46.66 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.23 -31.22 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -72.47 -35.16 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.004 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -71.65 -37.78 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 mt -67.7 -37.04 81.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.75 -58.54 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.73 -31.33 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' A' ' 106' ' ' MET . 6.6 tt -60.17 -42.56 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 6.4 m-85 -68.57 -39.34 81.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -25.63 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -90.51 -28.05 18.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 p -63.09 173.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 t -75.12 -24.19 58.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.7 pt -94.24 47.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -89.91 22.98 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.42 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.65 -30.45 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.284 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 32.8 m-85 -104.78 -32.2 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.29 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.8 t80 -56.35 140.93 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.028 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.6 t -106.84 -71.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 173.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.5 132.63 55.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.84 103.55 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.603 ' O ' HG13 ' A' ' 66' ' ' VAL . 8.5 p -71.43 104.2 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.84 -66.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.18 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.36 114.39 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.08 144.44 42.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 t -93.2 177.18 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 78' ' ' HIS . 6.4 m -149.11 145.06 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.6 t -83.21 174.42 10.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.06 -77.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.767 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 72' ' ' VAL . 2.3 t-20 -103.74 120.41 40.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.11 37.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.14 -24.46 12.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.561 ' HB2' HG21 ' A' ' 72' ' ' VAL . 4.9 m-70 -84.39 170.94 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.4 m -158.73 114.67 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.08 114.03 4.37 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 20' ' ' ILE . 27.5 t -84.59 97.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.84 86.09 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.59 -175.89 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -138.06 111.83 8.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.784 ' SG ' HD13 ' A' ' 16' ' ' LEU . 3.9 m -70.18 70.71 0.39 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.33 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -70.73 151.24 45.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.249 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 99' ' ' ILE . 9.3 m-85 -125.53 179.09 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.13 165.74 13.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.784 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.67 -28.2 80.6 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.507 2.138 . . . . 0.0 112.139 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.85 -28.53 64.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . . . -58.85 154.29 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.02 151.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.4 29.69 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.447 HG11 ' CZ ' ' A' ' 87' ' ' PHE . 32.7 t -84.1 125.35 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.32 171.85 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -74.51 -46.32 40.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 101' ' ' GLU . 19.5 t -58.91 -27.44 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.314 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -62.67 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.318 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.758 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.7 mt -69.3 -24.63 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.852 ' CE2' HD11 ' A' ' 104' ' ' LEU . 51.8 t80 -74.07 -40.82 62.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.643 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.0 mt-10 -71.55 -52.47 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -28.93 60.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.64 -46.08 33.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.852 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.2 mt -57.57 -50.43 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -54.84 -53.2 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 4.6 tpp -64.2 -26.92 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.047 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.697 HG22 HD23 ' A' ' 113' ' ' LEU . 51.4 p -96.35 23.1 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.7 t60 54.11 69.85 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.7 m120 59.73 35.16 22.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.587 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 58.61 55.67 29.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.0 p -133.58 -45.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -132.11 114.87 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.8 tm? -90.46 96.05 10.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.004 HD12 ' HB1' ' A' ' 47' ' ' ALA . 81.1 mt 62.19 -79.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 2.2 m-80 -138.85 31.87 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.0 103.87 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -68.56 118.62 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.0 pp -129.29 159.76 35.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.655 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -66.26 163.31 18.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.064 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.66 -38.73 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.787 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -69.73 -18.58 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -83.41 -32.63 26.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.87 HG22 ' HB2' ' A' ' 18' ' ' PHE . 26.0 t -59.14 136.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -174.1 127.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 125' ' ' VAL . 12.4 p -114.64 111.61 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -114.4 163.18 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 105.7 2.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.2 165.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.41 135.76 71.9 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.608 2.205 . . . . 0.0 112.192 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.6 p -162.91 162.86 26.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.2 p -158.89 31.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.558 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -90.95 -74.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.21 91.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.61 -153.69 15.71 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -159.17 36.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.84 88.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.0 -119.6 1.05 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -131.52 134.97 46.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -152.25 -168.51 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.43 105.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t -135.36 -169.58 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.93 157.9 41.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.857 ' HB3' HD11 ' A' ' 84' ' ' LEU . 40.2 m-70 -142.38 158.61 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.539 ' HB3' HG22 ' A' ' 125' ' ' VAL . 78.3 m-85 -145.8 118.92 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 118.17 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.425 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.0 tp -97.55 121.94 40.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -139.65 138.03 35.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.993 0.425 . . . . 0.0 111.361 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.874 ' HB2' HG22 ' A' ' 123' ' ' VAL . 15.6 p90 -177.83 113.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.62 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.2 m -69.2 135.43 50.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.191 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.539 HD11 HG21 ' A' ' 81' ' ' VAL . 27.9 mt -104.09 98.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.0 p -53.77 -26.54 24.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.11 49.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.975 0.417 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -163.82 91.04 1.11 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.728 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.18 147.58 88.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.529 2.153 . . . . 0.0 112.384 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -87.57 130.73 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.63 161.92 34.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.23 68.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -44.35 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 36' ' ' LYS . 33.8 mm -66.8 -16.79 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.432 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.26 -19.88 42.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.411 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.14 107.17 58.64 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.435 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 14.7 Cg_exo -67.7 64.46 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.659 2.239 . . . . 0.0 112.131 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -162.34 -37.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.4 p -55.66 -177.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 39' ' ' GLN . 4.5 m -82.95 -43.36 16.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.538 ' HG3' HD11 ' A' ' 29' ' ' ILE . 13.1 tptm -56.62 -38.92 72.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.435 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 22.8 t80 -66.53 -58.7 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -60.52 -34.12 73.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.485 ' HG3' HG22 ' A' ' 35' ' ' THR . 14.9 mt-30 -73.31 -57.34 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -62.08 -31.63 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HE2' HG13 ' A' ' 66' ' ' VAL . 42.2 tttt -70.33 -55.63 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -31.31 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -59.7 -48.1 82.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.38 -41.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -31.54 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -67.87 -43.92 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.107 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.32 -30.46 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 78.9 mt -72.12 -41.22 67.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.13 -35.19 74.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -78.2 -29.72 48.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 103' ' ' PHE . 7.0 tt -66.31 -36.95 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.5 m-85 -70.47 -45.7 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -26.79 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -96.41 -27.33 14.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.7 p -57.43 155.77 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 0.0 111.018 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -28.42 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.425 HG23 ' OE2' ' A' ' 102' ' ' GLU . 20.9 pt -93.6 46.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -88.11 52.66 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -142.88 -47.43 0.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.691 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 86.0 m-85 -94.94 -30.55 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.5 t80 -64.91 123.5 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.35 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.79 179.82 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.85 175.83 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -144.85 99.11 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.632 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.8 p -70.47 96.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.61 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.09 -168.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -125.12 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -94.89 154.26 17.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -97.65 167.62 10.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' A' ' 78' ' ' HIS . 12.1 m -141.51 138.1 32.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -110.45 34.11 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -104.98 -61.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -109.63 -20.02 12.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m120 64.89 30.0 12.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -147.62 26.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.761 ' HB2' HG21 ' A' ' 72' ' ' VAL . 9.2 m-70 -126.46 -173.79 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.5 m -163.62 121.25 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.8 111.09 3.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.413 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 20' ' ' ILE . 40.5 t -73.62 130.38 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 111.21 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.23 76.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.605 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.595 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -101.35 -177.88 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.081 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 13' ' ' HIS . 3.0 tm? -140.19 112.33 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.826 ' SG ' HD13 ' A' ' 16' ' ' LEU . 67.8 m -69.47 81.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.723 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.452 ' CG ' HD12 ' A' ' 84' ' ' LEU . 29.5 m-20 -74.66 142.9 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.443 ' CE1' HD11 ' A' ' 99' ' ' ILE . 7.7 m-85 -126.96 160.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 166.53 38.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -27.17 42.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.149 . . . . 0.0 112.412 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.0 -31.19 71.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -59.09 161.18 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.64 -42.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.59 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.34 153.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.19 156.71 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -59.7 -44.26 93.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.17 -29.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 -58.92 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.757 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.6 mt -63.5 -28.37 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' HD11 ' A' ' 104' ' ' LEU . 73.9 t80 -71.26 -45.69 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.22 -50.57 53.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE2' HG23 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.46 -29.62 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 107' ' ' THR . 81.3 t80 -83.29 -32.43 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.694 HD11 ' CE2' ' A' ' 100' ' ' TYR . 14.2 mt -69.34 -46.11 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.47 -34.94 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpp -83.01 -24.74 32.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.862 HG22 HD23 ' A' ' 113' ' ' LEU . 77.9 p -95.12 29.24 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.175 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 53.26 61.08 3.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 61.64 26.95 16.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.09 37.57 49.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.1 p -116.98 -34.67 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.07 125.37 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.862 HD23 HG22 ' A' ' 107' ' ' THR . 2.5 tm? -97.79 98.98 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.107 HD12 ' HB1' ' A' ' 47' ' ' ALA . 29.4 mt 61.58 -80.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.958 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -135.46 43.46 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -154.31 105.79 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.0 p -71.01 113.28 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.737 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.5 pp -123.01 160.24 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.732 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.3 t70 -58.65 175.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -109.67 -64.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -56.41 -24.7 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.6 t -66.1 -40.96 91.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.874 HG22 ' HB2' ' A' ' 18' ' ' PHE . 30.6 t -60.92 135.88 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -174.0 136.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -128.5 137.81 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -179.04 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.7 p -73.23 103.39 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -81.92 164.3 44.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.79 -160.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.634 2.223 . . . . 0.0 112.31 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.8 t -155.9 -73.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.8 t -90.85 -53.37 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -70.38 178.93 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.15 97.01 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.97 -28.44 72.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.578 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -53.86 52.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 111.007 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -79.22 -35.71 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.13 -49.54 2.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.39 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 m -130.1 145.35 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.9 30.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 p -116.46 175.35 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.39 142.43 34.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 10.4 m170 -121.12 111.28 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 127' ' ' SER . 35.2 m-85 -104.95 126.76 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.614 ' HA ' HD22 ' A' ' 84' ' ' LEU . 9.5 m120 -68.61 111.36 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.83 HD13 ' SG ' ' A' ' 85' ' ' CYS . 27.8 tp -91.27 135.86 33.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.684 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -154.11 128.32 9.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.916 0.388 . . . . 0.0 111.339 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.3 p90 -165.97 113.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.36 134.53 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.182 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.747 HD11 HG21 ' A' ' 81' ' ' VAL . 16.1 mt -105.97 102.74 14.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.9 p -57.93 -30.04 65.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -71.18 -50.16 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 HG21 ' A' ' 40' ' ' THR . 0.4 OUTLIER -73.12 112.45 15.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.2 -178.97 4.8 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.278 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.674 ' HD2' HG23 ' A' ' 79' ' ' THR . 1.5 t80 -137.36 115.1 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -121.68 -175.78 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -60.63 -31.94 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.495 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.2 m-20 -61.6 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.445 HD11 ' HG3' ' A' ' 36' ' ' LYS . 34.1 mm -61.45 -16.33 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.53 -24.7 25.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.646 0.26 . . . . 0.0 111.325 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -113.8 115.66 46.01 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 39.7 Cg_exo -60.54 -19.16 58.32 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 112.643 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -67.3 -32.06 72.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.357 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' ' 28' ' ' ASP . 49.8 p -69.56 167.17 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.09 -33.75 26.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -56.31 -30.24 62.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 36.1 t80 -76.34 -56.52 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -60.2 -31.27 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.37 -60.65 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.623 HG21 HD11 ' A' ' 23' ' ' LEU . 8.5 m -59.54 -30.4 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 59.9 tttt -69.9 -40.98 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -81.32 -29.92 34.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -50.32 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.85 -42.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -30.88 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.17 -42.13 60.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.05 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -64.27 -49.89 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 84.6 mt -60.04 -29.98 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.008 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.4 -61.49 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -57.82 -29.92 65.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.577 HD12 HD21 ' A' ' 113' ' ' LEU . 4.8 tt -61.76 -37.92 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 7.9 m-85 -67.85 -39.73 83.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.99 -12.26 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -104.31 -29.71 10.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.79 0.329 . . . . 0.0 111.003 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -59.0 153.54 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.1 t -58.65 -26.72 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.31 47.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 26.97 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -122.16 24.09 9.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 110.766 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 33.5 m-85 -162.28 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -52.77 114.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.059 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.61 -64.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.54 -176.01 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 45.2 t -124.33 156.49 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -128.09 105.12 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 66' ' ' VAL . 10.7 p -74.61 112.11 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 mt -71.4 -67.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -163.98 -173.91 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.15 125.74 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 112.6 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 14.8 t -71.18 115.04 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.805 HG21 ' HB2' ' A' ' 78' ' ' HIS . 8.2 m -65.76 -20.35 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.334 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 p 64.52 -169.05 0.2 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 63.29 -79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -106.77 121.1 43.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -78.54 90.49 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -166.0 -43.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.805 ' HB2' HG21 ' A' ' 72' ' ' VAL . 2.0 m-70 -86.27 166.13 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 25' ' ' TYR . 91.4 m -163.97 115.37 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.2 110.01 2.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.324 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 20' ' ' ILE . 46.9 t -86.49 102.78 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 111.328 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -87.21 87.83 7.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.366 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.545 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.78 -174.97 2.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.259 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.614 HD22 ' HA ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -141.24 108.08 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.83 ' SG ' HD13 ' A' ' 16' ' ' LEU . 51.0 m -70.32 91.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 48.3 m-20 -89.13 144.6 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 111.376 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 14.9 m-85 -129.56 172.13 11.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.51 166.55 35.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 -28.16 18.73 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.534 2.156 . . . . 0.0 112.271 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.23 -31.21 68.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -78.85 136.98 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.87 32.23 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.86 44.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 22.0 t -108.63 103.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.25 158.34 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.429 ' HB2' HG13 ' A' ' 125' ' ' VAL . 12.8 ptt85 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.419 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -68.54 -29.82 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.6 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.767 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.9 mt -65.99 -25.87 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.406 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 48.6 t80 -72.79 -43.76 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG3' HG12 ' A' ' 97' ' ' VAL . 4.6 mt-10 -74.23 -35.18 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -53.08 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 107' ' ' THR . 54.0 t80 -58.76 -28.45 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 120' ' ' ARG . 68.7 mt -85.66 -22.23 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.276 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -30.75 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.194 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.431 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.3 ttp -89.52 -20.1 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.38 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.653 HG22 HD23 ' A' ' 113' ' ' LEU . 67.7 p -95.64 31.42 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.301 . . . . 0.0 111.167 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 111' ' ' THR . 0.3 OUTLIER 53.79 53.78 10.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.62 38.32 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.09 38.06 94.9 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.412 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 108' ' ' HIS . 81.1 p -109.02 -42.4 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.702 0.287 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 52.4 tt0 -147.14 118.55 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.8 tm? -91.35 99.34 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.442 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.05 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.4 mt 62.28 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.99 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 113' ' ' LEU . 47.5 m-80 -138.91 38.83 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -150.17 119.26 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 75.1 p -80.05 119.23 22.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.701 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.8 pp -135.51 160.09 39.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.5 OUTLIER -75.7 144.26 41.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.677 ' HG3' HD22 ' A' ' 104' ' ' LEU . 4.3 ttt180 -88.94 -41.85 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -32.18 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.6 p -71.48 -26.73 62.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' A' ' 18' ' ' PHE . 19.2 t -59.17 150.54 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.089 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -174.12 141.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 125' ' ' VAL . 14.7 p -138.72 122.58 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.236 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.44 162.55 14.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.2 t -83.91 116.58 22.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -62.16 -63.06 5.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.01 103.61 0.91 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.659 2.239 . . . . 0.0 112.244 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.5 p -171.75 82.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 81.1 p -149.92 103.93 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -110.76 37.96 2.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 p -91.25 93.76 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.44 72.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.6 t -113.23 173.19 6.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.17 102.54 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.92 115.05 1.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.36 -179.43 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 t 60.64 168.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.57 118.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m 61.04 160.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.65 157.44 44.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.654 ' HB3' HD11 ' A' ' 84' ' ' LEU . 27.3 m80 -137.94 112.54 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.761 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' O ' HD13 ' A' ' 84' ' ' LEU . 27.9 m-85 -106.34 117.36 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.724 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.3 m120 -59.0 108.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.577 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.772 HD13 ' SG ' ' A' ' 85' ' ' CYS . 17.3 tp -87.62 129.9 34.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -148.4 141.05 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.0 111.52 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.834 ' HB2' HG22 ' A' ' 123' ' ' VAL . 34.5 p90 -178.81 113.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -69.93 131.11 43.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 mt -94.07 101.69 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 70.7 p -55.35 -27.78 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.34 58.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -162.29 89.35 1.39 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.92 157.57 10.29 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.476 2.117 . . . . 0.0 112.307 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -116.01 82.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 p -92.64 174.56 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -60.0 -28.95 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.784 ' HA ' HG21 ' A' ' 34' ' ' THR . 88.0 m-20 -58.21 -50.07 74.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.06 -29.12 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -24.43 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -130.12 117.58 18.1 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.64 -21.8 33.16 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.416 2.078 . . . . 0.0 112.433 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 t -51.84 -29.54 19.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.784 HG21 ' HA ' ' A' ' 28' ' ' ASP . 42.3 p -82.19 165.26 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -81.52 -29.18 33.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -56.74 -28.25 60.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -84.71 -46.25 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.13 -30.88 71.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -55.5 7.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.692 HG22 HD11 ' A' ' 44' ' ' ILE . 26.0 m -59.08 -38.63 79.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.82 -51.26 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.46 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.433 ' HG ' ' HE1' ' A' ' 116' ' ' PHE . 13.3 t -59.55 -48.5 81.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.692 HD11 HG22 ' A' ' 40' ' ' THR . 14.5 mt -70.6 -51.7 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.25 -32.56 66.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.22 -38.55 56.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.934 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.74 -36.09 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 63.3 mt -72.55 -31.07 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -59.05 -61.88 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -58.53 -30.15 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 51' ' ' LEU . 6.7 tt -65.55 -30.88 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 m-85 -72.61 -39.3 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -73.32 -19.14 61.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -107.23 34.66 3.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.82 169.16 15.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 pt -98.57 49.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -93.52 38.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 t -135.9 -46.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.484 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 33.5 m-85 -85.53 -31.01 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -64.68 123.61 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 t -88.81 -63.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.45 -177.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.46 156.28 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -135.67 93.17 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.602 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.8 p -65.69 103.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.49 -66.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.97 -174.26 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' HB3' HG23 ' A' ' 79' ' ' THR . 59.5 m-85 -112.32 116.51 30.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -77.75 144.49 37.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.75 137.01 47.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 75' ' ' ASN . 4.6 m -100.46 143.25 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -82.31 -29.71 30.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -67.53 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -120.02 144.17 47.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.79 31.03 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -126.92 18.8 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -122.4 -178.12 3.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 69' ' ' PHE . 68.0 m -162.25 103.88 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.71 98.18 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.49 132.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.394 . . . . 0.0 111.051 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.41 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.433 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.426 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -105.48 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.03 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.724 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -134.48 114.01 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.849 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.772 ' SG ' HD13 ' A' ' 16' ' ' LEU . 7.8 m -65.27 81.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.393 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.41 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 17.5 m-20 -70.83 128.14 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CE1' HD11 ' A' ' 99' ' ' ILE . 5.8 m-85 -116.77 150.26 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.21 165.67 45.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.29 -33.71 89.09 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.466 2.111 . . . . 0.0 112.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.7 -27.24 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.31 158.41 5.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -176.66 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 55.64 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.528 HG21 ' CE2' ' A' ' 87' ' ' PHE . 5.3 t -139.11 135.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.41 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 m-20 -119.41 -62.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.015 0.436 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 179.93 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.82 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.566 HG12 ' HG3' ' A' ' 101' ' ' GLU . 26.7 t -61.4 -26.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -62.99 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.621 HD11 ' CE1' ' A' ' 87' ' ' PHE . 11.0 mt -64.71 -23.9 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.651 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 50.3 t80 -76.92 -45.32 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' HG12 ' A' ' 97' ' ' VAL . 2.3 mt-10 -73.49 -44.96 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.44 -37.51 75.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.77 ' CZ ' HG21 ' A' ' 107' ' ' THR . 75.5 t80 -73.53 -46.13 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.78 HD23 ' HA3' ' A' ' 110' ' ' GLY . 9.9 mt -60.01 -34.36 73.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -71.18 -29.7 65.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.6 tpp -91.18 -25.53 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.261 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 p -95.25 20.79 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.255 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.79 77.86 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.13 27.01 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.78 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 59.12 50.11 71.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.4 p -125.16 -38.84 2.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.157 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.712 ' HG3' HG22 ' A' ' 117' ' ' THR . 5.1 tt0 -129.62 104.27 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.2 tm? -82.51 94.61 7.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.934 HD12 ' HB1' ' A' ' 47' ' ' ALA . 24.5 mt 62.01 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 6.9 m120 -120.29 -38.51 2.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.433 ' HE1' ' HG ' ' A' ' 43' ' ' SER . 39.8 m-85 -76.74 127.28 32.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.712 HG22 ' HG3' ' A' ' 112' ' ' GLN . 81.9 p -90.98 118.32 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.734 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.77 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -128.1 160.44 31.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.183 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 118' ' ' LEU . 5.2 t0 -64.79 178.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -41.98 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.3 70.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.9 t -75.87 -30.95 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.834 HG22 ' HB2' ' A' ' 18' ' ' PHE . 28.3 t -64.34 132.28 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 125' ' ' VAL . 49.0 t80 -174.02 163.3 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -150.25 129.5 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -119.37 178.51 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.4 m -82.95 116.12 22.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -59.04 -62.75 5.87 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.612 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 14.1 Cg_endo -57.16 -71.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.628 2.219 . . . . 0.0 112.333 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.7 -62.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.2 t 61.63 78.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.02 85.63 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.38 138.79 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.9 -112.92 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -123.48 114.75 20.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 t 67.81 -69.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.18 -65.99 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.5 m -62.44 -44.31 96.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.77 136.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.8 m -131.88 158.19 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.8 p -79.1 -170.1 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.572 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -152.11 135.66 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.404 ' HB3' HD11 ' A' ' 84' ' ' LEU . 9.9 m-70 -126.61 114.39 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 43.9 m-85 -110.35 122.16 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.718 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.2 t-20 -63.12 122.57 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.792 HD13 ' SG ' ' A' ' 85' ' ' CYS . 22.9 tp -106.13 113.38 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -135.9 144.6 45.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.017 0.437 . . . . 0.0 111.346 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.775 ' CD2' HD22 ' A' ' 118' ' ' LEU . 24.6 p90 -178.38 121.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.6 m -74.24 135.77 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 22' ' ' ASN . 18.2 mt -101.84 142.44 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 44.3 p -108.05 23.03 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.096 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.77 ' H ' HG22 ' A' ' 20' ' ' ILE . 1.3 t30 -119.47 -30.65 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.15 105.75 15.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.17 114.01 3.86 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.412 2.075 . . . . 0.0 112.311 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 24.6 t80 -62.06 123.14 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.44 178.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.67 -30.95 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.64 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.0 OUTLIER -62.17 -48.33 80.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' A' ' 36' ' ' LYS . 31.7 mm -69.83 -12.78 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.06 -17.59 34.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.639 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 mt-30 -126.66 117.61 22.7 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 14.3 Cg_exo -68.12 62.55 1.02 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.589 2.192 . . . . 0.0 112.131 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -148.31 -40.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.64 HG21 ' HA ' ' A' ' 28' ' ' ASP . 78.3 p -61.17 177.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.6 m -83.06 -38.52 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -58.55 -38.85 78.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 33.2 t80 -59.82 -48.83 80.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -73.5 -35.77 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -57.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.435 HG22 ' CZ ' ' A' ' 69' ' ' PHE . 62.6 m -62.2 -40.88 97.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HG2' HG11 ' A' ' 66' ' ' VAL . 63.7 tttt -58.86 -37.28 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.17 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -47.02 87.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mt -71.08 -44.89 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.35 -32.2 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -76.05 -40.76 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.0 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -68.39 -38.98 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 88.1 mt -71.59 -31.85 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -58.46 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.61 -31.47 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' ' HE3' ' A' ' 106' ' ' MET . 3.9 tt -60.8 -35.5 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 10.3 m-85 -72.69 -36.88 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -29.06 63.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -92.42 -25.32 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.488 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 71.3 p -56.16 170.33 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 m -74.68 -29.65 61.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.411 HD12 ' CZ ' ' A' ' 87' ' ' PHE . 20.0 pt -93.81 45.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -89.46 51.27 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.46 -45.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.508 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 36.8 m-85 -111.05 24.04 13.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 52' ' ' PHE . 3.1 t80 -105.75 123.97 48.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 -74.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -169.75 -176.04 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.37 -179.05 3.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.94 88.04 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.71 HG11 ' HG2' ' A' ' 41' ' ' LYS . 8.3 p -64.64 104.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.07 -63.84 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -166.34 -172.65 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.435 ' CZ ' HG22 ' A' ' 40' ' ' THR . 80.6 m-85 -116.48 130.81 56.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.42 119.26 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 40.0 t -73.63 127.78 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 78' ' ' HIS . 31.3 m -76.28 166.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 t -130.85 78.66 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -162.86 -59.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -110.87 -17.74 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.53 31.2 12.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.847 0.356 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -128.6 -46.21 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.505 ' HB2' HG21 ' A' ' 72' ' ' VAL . 6.5 m-70 -63.8 172.19 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.0 m -146.12 128.49 15.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.23 119.94 5.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 20' ' ' ILE . 47.9 t -94.61 126.58 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 111.172 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 84.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 p -106.44 -177.68 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -135.76 119.16 16.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.792 ' SG ' HD13 ' A' ' 16' ' ' LEU . 1.7 m -84.9 79.14 9.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.439 ' CG ' HD12 ' A' ' 84' ' ' LEU . 20.5 m120 -72.18 155.75 39.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.411 ' CZ ' HD12 ' A' ' 57' ' ' ILE . 12.4 m-85 -136.28 168.55 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 154.94 88.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.32 -28.04 15.59 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.62 2.213 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.36 -45.57 93.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.572 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -59.57 -179.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -177.6 -37.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.48 49.04 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 46.5 t -106.75 102.57 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.745 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -75.56 154.8 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.9 ptp180 -61.45 -41.36 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.761 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.7 t -57.24 -26.51 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.259 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.52 -54.72 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.208 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.735 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.5 mt -67.38 -21.8 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.664 ' HB2' HG12 ' A' ' 125' ' ' VAL . 52.3 t80 -81.86 -44.13 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.761 ' HG3' HG12 ' A' ' 97' ' ' VAL . 5.0 mt-10 -66.66 -50.73 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.33 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -63.72 -38.26 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.251 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 107' ' ' THR . 85.2 t80 -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 100' ' ' TYR . 16.5 mt -75.31 -30.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -28.75 66.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -92.51 -23.34 19.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.614 HG22 HD23 ' A' ' 113' ' ' LEU . 69.5 p -95.77 23.65 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 52.47 65.23 1.57 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 46.3 t30 61.85 30.38 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 56.62 14.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.8 p -128.67 -44.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -132.39 116.28 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.3 tm? -94.24 91.65 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.704 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.0 HD12 ' HB1' ' A' ' 47' ' ' ALA . 36.8 mt 61.05 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -133.33 37.69 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -153.47 111.02 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.1 p -75.15 120.81 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.775 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.5 159.08 42.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.634 ' O ' HD12 ' A' ' 118' ' ' LEU . 1.5 t0 -70.36 162.23 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -94.3 -45.25 7.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -58.14 -34.25 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.7 p -69.14 -30.49 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 119' ' ' ASP . 27.6 t -67.09 134.85 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -173.68 153.8 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.664 HG12 ' HB2' ' A' ' 100' ' ' TYR . 14.2 p -140.77 118.0 8.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.98 165.81 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.9 p -68.08 114.52 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -53.04 -61.59 6.77 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.832 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 29.6 Cg_endo -63.33 112.02 1.61 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.513 2.142 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -147.97 -52.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.2 p -164.35 132.94 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.76 -70.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.704 0.288 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.57 -65.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.81 -105.66 2.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 63.07 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.66 177.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.6 59.95 0.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m -91.53 -44.97 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -123.88 44.31 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 m -136.84 105.28 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 m 61.86 172.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -135.07 153.49 52.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.671 ' HB3' HD11 ' A' ' 84' ' ' LEU . 5.4 m80 -124.58 106.03 9.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.736 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -95.29 107.79 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.2 t-20 -54.26 112.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' SG ' ' A' ' 85' ' ' CYS . 14.2 tp -98.69 127.46 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -146.85 137.53 23.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.756 ' CD2' HD22 ' A' ' 118' ' ' LEU . 16.6 p90 -169.59 126.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.8 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -71.15 130.51 41.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.503 HD11 HG21 ' A' ' 81' ' ' VAL . 54.2 mt -107.77 102.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 p -60.86 -24.13 65.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -88.37 53.65 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -172.59 96.05 0.37 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.87 129.13 17.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.424 2.083 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD1' HG23 ' A' ' 79' ' ' THR . 4.9 t80 -80.17 117.95 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.14 176.74 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.629 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.5 m-20 -60.76 -49.93 75.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.618 HD11 ' HG2' ' A' ' 36' ' ' LYS . 40.1 mm -64.81 -21.87 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.17 31.07 2.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.91 100.21 0.93 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 76.8 Cg_exo -50.34 -25.06 12.96 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.46 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -56.67 -29.03 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.629 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.2 p -83.95 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -83.06 -30.22 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.618 ' HG2' HD11 ' A' ' 29' ' ' ILE . 40.0 tttt -56.72 -28.47 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 88.4 t80 -67.57 -53.53 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.49 -30.66 66.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.0 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -65.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -59.74 -30.64 68.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.652 ' CG ' HG11 ' A' ' 66' ' ' VAL . 17.1 ttmm -64.11 -59.68 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.14 -31.26 70.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.049 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.703 HG22 HD12 ' A' ' 48' ' ' LEU . 10.0 mt -74.06 -48.51 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' OE2' HG12 ' A' ' 66' ' ' VAL . 1.8 mt-10 -58.16 -40.3 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.11 -47.75 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.008 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.29 -38.91 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.703 HD12 HG22 ' A' ' 44' ' ' ILE . 25.5 mt -70.88 -30.8 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -59.41 -27.73 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.05 -53.2 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 8.8 m-85 -59.68 -42.74 93.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -66.97 -15.41 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.351 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -105.41 -28.93 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.509 ' N ' ' HE1' ' A' ' 106' ' ' MET . 51.7 p -58.01 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -96.6 28.52 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.8 pt -151.96 49.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.09 34.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.94 -39.59 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.782 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 7.4 m-85 -104.03 -33.15 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 1.1 t80 -60.03 131.36 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -100.37 -60.64 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -177.28 -177.13 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.59 150.78 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.784 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.3 100.77 7.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.652 HG11 ' CG ' ' A' ' 41' ' ' LYS . 9.8 p -69.7 116.13 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.89 -65.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.07 -170.79 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.97 134.76 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -102.54 161.29 13.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t -106.65 133.67 50.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.588 HG21 ' HB2' ' A' ' 78' ' ' HIS . 27.8 m -99.46 156.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.4 m -117.15 89.46 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.31 -69.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.0 -19.02 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.182 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.49 30.19 15.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -136.89 19.18 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.588 ' HB2' HG21 ' A' ' 72' ' ' VAL . 4.9 m-70 -120.34 -174.71 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.566 HG23 ' CD1' ' A' ' 25' ' ' TYR . 6.6 m -156.55 115.16 3.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.94 105.73 1.75 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG21 HD11 ' A' ' 20' ' ' ILE . 44.7 t -72.98 134.48 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 111.205 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.68 75.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.078 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.671 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.2 tm? -139.68 115.94 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.862 ' SG ' HD13 ' A' ' 16' ' ' LEU . 17.9 m -75.04 77.88 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.526 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.59 ' OD1' HD12 ' A' ' 84' ' ' LEU . 2.7 m120 -69.68 145.48 52.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.3 m-85 -132.71 -179.92 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.857 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 m -91.85 158.83 39.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.83 -26.59 27.07 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.531 2.154 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.77 -36.38 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.782 ' HB2' ' CG ' ' A' ' 60' ' ' TYR . . . -76.32 177.99 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -178.61 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.05 50.19 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.413 HG11 ' CE2' ' A' ' 87' ' ' PHE . 31.8 t -106.23 95.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -60.47 166.02 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.995 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -74.9 -39.3 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.6 t -62.03 -25.77 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -63.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.783 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.9 mt -67.66 -26.72 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.495 ' CE2' HD11 ' A' ' 104' ' ' LEU . 73.8 t80 -69.53 -42.97 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -79.27 -44.49 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.4 -33.09 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -75.6 -44.73 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.506 HD23 ' HA3' ' A' ' 110' ' ' GLY . 19.7 mt -59.01 -41.48 87.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -58.91 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.509 ' HE1' ' N ' ' A' ' 55' ' ' SER . 3.3 tpp -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.501 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.794 HG22 HD23 ' A' ' 113' ' ' LEU . 62.9 p -95.99 27.34 3.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 54.74 60.49 3.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.87 28.37 12.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.506 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 69.33 35.7 77.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.784 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.8 p -120.22 -15.36 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -158.15 114.16 2.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.794 HD23 HG22 ' A' ' 107' ' ' THR . 1.5 tm? -97.46 90.76 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.008 HD12 ' HB1' ' A' ' 47' ' ' ALA . 82.5 mt 59.71 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 m120 -133.67 37.96 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -151.04 94.55 2.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.13 127.75 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.756 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -143.17 159.46 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.64 ' O ' HD12 ' A' ' 118' ' ' LEU . 11.4 t0 -70.41 160.88 31.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.16 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.43 ' HG3' HD22 ' A' ' 104' ' ' LEU . 7.9 ttt180 -95.08 -53.73 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -31.06 70.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.4 p -60.08 -31.25 69.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.82 146.69 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -169.96 125.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.95 126.21 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.44 177.11 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.0 p -68.7 111.95 5.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.505 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -68.81 -54.94 12.35 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.953 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 21.0 Cg_endo -62.09 -59.11 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.367 2.045 . . . . 0.0 112.566 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.3 t 70.0 -64.58 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 t 70.05 -65.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -93.83 154.57 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -65.54 -64.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.972 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.58 -120.39 21.44 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.541 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -63.5 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -96.31 160.65 14.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.66 -97.6 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.61 163.24 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m 60.39 47.21 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -103.15 107.45 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p 58.5 167.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -112.27 163.64 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.683 ' CB ' HD11 ' A' ' 84' ' ' LEU . 44.7 m170 -137.19 95.58 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -85.17 113.2 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -53.26 119.48 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.817 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.6 tp -98.2 133.55 42.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.48 137.52 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.688 ' HB2' HG22 ' A' ' 123' ' ' VAL . 8.5 p90 -177.39 123.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.774 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 79' ' ' THR . 27.0 m -74.95 131.99 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 81' ' ' VAL . 50.7 mt -100.45 97.71 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.2 p -53.87 -26.14 23.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -87.8 52.41 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.613 ' HG ' HG21 ' A' ' 40' ' ' THR . 0.4 OUTLIER -174.45 88.32 0.33 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.701 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.28 126.81 17.77 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.486 2.124 . . . . 0.0 112.347 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -63.5 97.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -104.67 168.98 8.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.51 -28.27 65.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HA ' HG21 ' A' ' 34' ' ' THR . 10.9 m-20 -68.17 -45.58 73.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.504 HD11 ' HG2' ' A' ' 36' ' ' LYS . 34.1 mm -68.18 -28.12 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.92 -9.6 58.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.497 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -124.67 109.49 28.28 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 15.8 Cg_exo -67.58 61.85 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.646 2.23 . . . . 0.0 112.366 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -170.7 34.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 28' ' ' ASP . 29.9 p -128.64 -175.52 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -83.1 -52.37 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.098 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' HD11 ' A' ' 29' ' ' ILE . 15.7 tttt -57.32 -28.86 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' CZ ' ' HE3' ' A' ' 41' ' ' LYS . 66.2 t80 -77.38 -49.42 14.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -69.79 -30.72 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.05 -41.24 62.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.613 HG21 ' HG ' ' A' ' 23' ' ' LEU . 74.0 m -72.44 -47.15 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.993 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.734 ' CG ' HG11 ' A' ' 66' ' ' VAL . 5.1 ttmt -58.52 -48.44 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -40.89 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 48' ' ' LEU . 14.7 mt -70.23 -48.67 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -43.0 94.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -69.25 -49.16 58.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -63.47 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 44' ' ' ILE . 12.4 mt -72.61 -33.47 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -63.43 -39.19 93.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -55.15 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -49.04 -39.4 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 15.9 m-85 -59.55 -47.77 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 mtm105 -74.91 -7.28 53.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.11 -28.75 12.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.413 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 51.2 p -66.23 176.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.08 -22.92 38.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.452 HG23 ' OE2' ' A' ' 102' ' ' GLU . 37.8 pt -92.93 45.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 38.91 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.12 -45.33 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 44.8 m-85 -110.2 -27.23 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -55.51 127.76 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.11 -66.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -164.33 -177.1 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.447 ' HG ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -113.82 164.83 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -132.22 97.22 4.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.734 HG11 ' CG ' ' A' ' 41' ' ' LYS . 9.8 p -68.21 110.16 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.71 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.28 -179.49 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -107.84 176.28 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -147.57 155.11 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t -91.83 178.94 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 78' ' ' HIS . 14.6 m -146.0 133.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.1 p -62.59 -73.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -59.49 115.49 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.95 120.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.57 29.54 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -105.95 17.02 24.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.501 ' HB2' HG21 ' A' ' 72' ' ' VAL . 11.1 m-70 -127.95 -179.79 5.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.8 0.333 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.428 ' C ' HG23 ' A' ' 19' ' ' THR . 60.5 m -159.46 126.49 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.72 134.1 12.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 20' ' ' ILE . 41.3 t -102.28 138.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.55 76.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.89 -177.86 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 13' ' ' HIS . 3.2 tm? -135.86 119.44 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.984 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.817 ' SG ' HD13 ' A' ' 16' ' ' LEU . 86.7 m -73.4 83.11 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.518 ' ND2' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -70.25 139.7 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.31 -179.679 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CE1' HD11 ' A' ' 99' ' ' ILE . 6.3 m-85 -130.47 -176.88 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.908 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.64 166.07 17.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 90' ' ' LEU . 57.5 Cg_endo -71.13 -33.68 11.25 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.555 2.17 . . . . 0.0 112.383 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 5.5 mp -59.73 -31.21 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 60' ' ' TYR . . . -60.02 165.73 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -178.7 -38.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -94.05 46.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.85 121.98 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.6 160.4 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.1 OUTLIER -62.94 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.487 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -65.93 -28.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.663 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.0 mt -64.14 -19.53 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.715 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 63.8 t80 -82.16 -46.07 14.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.487 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.5 mt-10 -72.31 -29.14 63.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.261 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' OE2' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -83.65 -30.36 26.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.074 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -76.47 -28.84 56.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.819 HD22 ' HG2' ' A' ' 120' ' ' ARG . 11.6 mt -84.37 -38.54 20.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -61.68 -51.65 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -63.18 -25.16 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.795 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.433 HG22 HD23 ' A' ' 113' ' ' LEU . 54.7 p -97.02 29.28 3.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.046 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.31 59.47 4.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.08 0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 62.17 37.42 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.69 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.92 70.2 1.08 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.332 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.9 p -141.58 -45.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 1.3 tt0 -129.0 98.87 5.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 111.353 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -85.8 85.99 7.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.964 HD12 ' HB1' ' A' ' 47' ' ' ALA . 81.5 mt 60.98 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -132.51 30.49 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -149.85 97.8 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 15.9 p -64.94 123.43 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.653 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -136.27 158.83 43.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.647 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.9 167.17 21.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.248 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.819 ' HG2' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -106.11 -49.28 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -57.33 -31.53 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.9 p -70.47 -30.53 67.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.688 HG22 ' HB2' ' A' ' 18' ' ' PHE . 39.8 t -60.41 143.32 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -171.19 133.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 15' ' ' ASN . 13.1 p -131.97 134.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.31 174.6 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 m -85.54 112.78 21.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -68.11 -152.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.567 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.11 127.39 14.25 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.548 2.165 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 m -127.9 112.41 14.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 38.2 t 60.48 103.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.21 31.28 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m -117.81 -40.89 2.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.03 120.19 2.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.4 p -93.37 -42.11 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 t -172.91 -54.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.68 -35.62 1.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.436 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.1 t -78.45 146.69 34.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.47 59.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -106.03 29.95 6.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 m -102.37 -177.89 3.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.606 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -158.99 131.97 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -126.82 116.79 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HB3' HG22 ' A' ' 125' ' ' VAL . 60.2 m-85 -108.78 110.95 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.562 ' HA ' HD22 ' A' ' 84' ' ' LEU . 4.0 t30 -55.37 111.69 0.94 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.74 HD13 ' SG ' ' A' ' 85' ' ' CYS . 18.4 tp -88.24 136.22 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -153.31 140.18 19.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.976 0.417 . . . . 0.0 111.302 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.738 ' CD2' HD22 ' A' ' 118' ' ' LEU . 21.5 p90 -178.29 116.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.532 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -69.21 133.49 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.449 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 81' ' ' VAL . 23.5 mt -106.01 108.73 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 p -68.33 -30.5 69.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.223 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -79.35 -2.91 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.545 HD21 HG23 ' A' ' 40' ' ' THR . 0.3 OUTLIER -103.55 90.65 2.84 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.24 116.36 4.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.515 2.144 . . . . 0.0 112.257 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.484 ' HD2' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -80.03 128.45 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 m -135.95 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.706 ' HA ' HG21 ' A' ' 34' ' ' THR . 49.8 m-20 -64.23 -45.82 86.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.49 -13.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.391 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.57 -24.64 20.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.712 0.291 . . . . 0.0 111.192 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -122.52 118.57 28.62 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 40.4 Cg_exo -56.75 -20.9 37.25 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.514 2.143 . . . . 0.0 112.434 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 t -53.71 -29.11 37.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.706 HG21 ' HA ' ' A' ' 28' ' ' ASP . 47.2 p -84.14 165.46 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.991 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.454 HG22 ' HG3' ' A' ' 39' ' ' GLN . 12.3 m -83.14 -30.78 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.041 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -58.03 -28.14 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 27.3 t80 -75.08 -36.24 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -82.07 -38.39 24.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.6 mm-40 -70.37 -47.72 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.545 HG23 HD21 ' A' ' 23' ' ' LEU . 63.1 m -64.7 -46.25 83.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -58.66 -44.46 90.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -71.61 -30.66 66.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -62.13 -45.32 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.995 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.434 HD12 ' CE1' ' A' ' 69' ' ' PHE . 41.5 mt -70.25 -46.89 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -36.44 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.6 -45.47 58.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.085 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -61.02 -37.03 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 24.9 mt -71.08 -29.89 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.39 -59.48 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' OE1' HD13 ' A' ' 114' ' ' LEU . 9.2 pt20 -59.63 -31.16 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.98 -52.77 63.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 m-85 -61.16 -41.45 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -61.91 -29.3 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -94.85 -27.22 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' HE1' ' A' ' 106' ' ' MET . 88.4 p -57.26 155.24 9.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -59.04 -28.6 66.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.652 HG23 ' OE2' ' A' ' 102' ' ' GLU . 24.8 pt -93.88 46.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -90.29 46.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.8 t -140.52 -47.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.601 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.6 m-85 -91.52 -29.0 17.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.8 t80 -67.72 95.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -60.61 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.78 -171.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 52.6 t -128.92 154.14 46.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -132.96 121.89 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.521 ' O ' HG13 ' A' ' 66' ' ' VAL . 11.2 p -83.87 116.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.1 mt -75.05 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.11 171.67 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CE1' HD12 ' A' ' 44' ' ' ILE . 43.5 m-85 -104.97 132.31 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.09 109.48 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 102.13 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 78' ' ' HIS . 16.5 m -64.89 139.16 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 p -85.92 -27.58 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -56.99 -43.05 81.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.61 ' O ' HG23 ' A' ' 72' ' ' VAL . 8.2 t-20 -142.36 152.73 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -99.61 28.26 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -121.44 -41.91 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.673 ' HB2' HG21 ' A' ' 72' ' ' VAL . 1.4 m-70 -72.13 173.42 8.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 25' ' ' TYR . 77.0 m -162.69 109.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 106.6 1.86 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.416 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 20' ' ' ILE . 61.9 t -70.62 141.59 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.193 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -130.02 76.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.541 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.53 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -101.76 -178.86 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.668 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 15' ' ' ASN . 1.3 tm? -137.22 118.11 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.74 ' SG ' HD13 ' A' ' 16' ' ' LEU . 3.9 m -73.62 82.08 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.362 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.81 124.28 22.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.098 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.735 ' CE2' HG11 ' A' ' 94' ' ' VAL . 5.0 m-85 -116.57 155.78 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.42 159.16 80.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.64 -14.84 43.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.589 2.193 . . . . 0.0 112.54 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 90' ' ' LEU . 6.3 mp -69.3 -34.61 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -58.14 178.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.088 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 178.94 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 32.19 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.295 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.735 HG11 ' CE2' ' A' ' 87' ' ' PHE . 15.1 t -87.47 140.01 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.65 155.43 45.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.705 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -58.64 -30.59 67.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.86 -30.19 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.5 -62.98 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.193 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.647 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.6 mt -63.98 -23.57 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.586 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 60.0 t80 -75.03 -44.39 48.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.84 -51.49 13.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.652 ' OE2' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.95 -28.56 64.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.693 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.688 ' O ' HG23 ' A' ' 107' ' ' THR . 56.5 t80 -77.06 -58.96 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.227 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.586 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 68.3 mt -56.19 -39.82 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -28.17 69.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.402 ' HE1' ' N ' ' A' ' 55' ' ' SER . 2.4 tpp -87.31 -25.97 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.332 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.845 HG22 HD23 ' A' ' 113' ' ' LEU . 7.3 p -93.84 43.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 54.64 52.13 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 62.32 48.25 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' HA3' HD22 ' A' ' 104' ' ' LEU . . . 58.86 40.81 95.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.719 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.6 p -124.3 -38.17 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.249 . . . . 0.0 111.35 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 50.5 tt0 -143.32 116.96 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.215 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.845 HD23 HG22 ' A' ' 107' ' ' THR . 1.5 tm? -94.61 92.19 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.085 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.7 mt 61.66 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 5.4 m120 -133.84 43.17 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 87.8 m-85 -158.47 114.25 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 15.4 p -77.68 118.05 19.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.738 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -135.22 159.75 40.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.28 144.69 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -47.28 19.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -58.94 -32.88 70.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 t -63.47 -33.86 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.714 HG22 ' HB2' ' A' ' 18' ' ' PHE . 18.2 t -59.67 150.19 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -174.02 131.9 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 96' ' ' ARG . 14.9 p -129.48 117.38 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.79 170.61 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 m -74.14 101.67 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.988 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.68 157.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.699 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.43 -60.16 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.4 m 62.3 89.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.7 t -108.56 145.51 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -136.69 143.25 43.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -172.94 149.13 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.39 -149.37 13.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -157.6 168.03 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -153.53 111.01 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.21 -141.75 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -78.07 -178.64 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.61 164.6 31.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -83.53 173.71 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -177.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.82 146.23 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.71 ' HB3' HD11 ' A' ' 84' ' ' LEU . 10.7 m-70 -128.05 109.31 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 96.7 m-85 -95.92 118.1 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.736 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 125' ' ' VAL . 0.4 OUTLIER -59.97 119.0 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.769 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.4 tp -98.35 128.32 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.56 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -146.31 135.27 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.425 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.807 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.0 p90 -171.27 115.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.444 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -77.65 132.7 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.643 HD11 HG21 ' A' ' 81' ' ' VAL . 19.0 mt -97.0 131.41 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.826 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.708 HG22 ' CE1' ' A' ' 78' ' ' HIS . 6.3 p -97.11 32.03 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' HG22 ' A' ' 20' ' ' ILE . 45.0 t30 -146.44 30.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.443 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -143.97 105.4 4.86 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.768 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.4 143.09 62.22 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.373 2.049 . . . . 0.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -102.88 122.31 44.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 p -128.47 177.15 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.862 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.0 OUTLIER -60.3 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 36' ' ' LYS . 39.2 mm -59.56 -28.42 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.83 -18.98 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.324 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.7 113.46 22.61 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.14 -23.64 23.2 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.516 2.144 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -55.46 -29.68 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.862 HG21 ' HA ' ' A' ' 28' ' ' ASP . 27.6 p -74.64 162.94 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -82.93 -29.77 28.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 29' ' ' ILE . 18.9 tttt -58.72 -29.83 66.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -80.66 -53.45 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -59.92 -31.3 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -65.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.659 HG22 HD11 ' A' ' 44' ' ' ILE . 4.6 m -61.23 -31.23 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.92 -31.12 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -83.49 -40.36 19.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -59.46 -43.2 93.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.659 HD11 HG22 ' A' ' 40' ' ' THR . 12.1 mt -69.92 -45.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.94 87.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.36 -37.77 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.728 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -68.72 -35.15 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD13 ' SG ' ' A' ' 64' ' ' CYS . 72.3 mt -72.4 -30.73 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -59.66 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.991 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.12 -30.25 67.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' O ' ' HE1' ' A' ' 106' ' ' MET . 6.5 tt -61.02 -36.42 79.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.4 m-85 -76.81 -41.46 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -26.54 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -88.64 -29.53 19.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.7 p -66.44 161.45 22.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.996 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -59.89 -26.39 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.0 pt -93.21 45.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -91.53 50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -141.7 -47.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -90.0 -36.7 14.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -59.54 115.35 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -61.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -175.38 -176.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.447 ' SG ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -113.04 150.19 32.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -120.83 93.7 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.598 ' O ' HG13 ' A' ' 66' ' ' VAL . 10.1 p -68.66 107.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.14 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.93 -171.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -113.94 119.17 36.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -78.34 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -75.88 162.4 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.861 HG21 ' HB2' ' A' ' 78' ' ' HIS . 15.3 m -146.41 154.68 12.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.7 m -105.02 -47.23 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -59.2 130.34 46.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 79.52 -50.53 0.4 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.28 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.26 32.08 1.02 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.76 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.5 26.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.861 ' HB2' HG21 ' A' ' 72' ' ' VAL . 52.9 m170 -117.0 -179.91 3.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -163.88 120.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.52 108.45 2.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 HD11 ' A' ' 20' ' ' ILE . 36.6 t -77.98 93.12 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.215 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.73 86.84 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.669 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.636 ' OG ' HD23 ' A' ' 16' ' ' LEU . 2.0 p -108.95 -177.58 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.7 tm? -136.16 118.8 15.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.862 ' SG ' HD13 ' A' ' 16' ' ' LEU . 44.9 m -78.53 81.13 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.657 ' ND2' HD12 ' A' ' 84' ' ' LEU . 4.6 m-80 -70.11 142.3 52.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 94' ' ' VAL . 8.3 m-85 -131.41 -177.03 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.833 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.7 OUTLIER -109.12 151.77 42.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.972 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 88' ' ' SER . 23.1 Cg_exo -63.88 -20.79 68.78 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.607 2.204 . . . . 0.0 112.541 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.33 -27.08 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -59.48 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 62.28 24.13 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 30.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 91' ' ' ALA . 28.4 t -100.82 149.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.83 159.34 40.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ARG . . . . . 0.426 ' HB2' HG13 ' A' ' 125' ' ' VAL . 6.3 ptt180 -62.23 -34.53 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.23 -30.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.86 -54.74 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.781 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.7 mt -65.94 -25.6 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.772 ' CE2' HD11 ' A' ' 104' ' ' LEU . 78.4 t80 -75.68 -44.22 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.41 -54.77 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -35.26 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.119 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' A' ' 107' ' ' THR . 58.0 t80 -65.21 -45.7 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.024 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -63.39 -37.26 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.08 -33.28 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.473 ' HE1' ' O ' ' A' ' 51' ' ' LEU . 2.2 tpp -87.69 -24.33 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.331 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 113' ' ' LEU . 22.3 p -95.73 25.05 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.238 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 52.01 78.83 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.189 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 55.78 29.21 13.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.588 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 59.88 66.09 2.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.407 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.4 p -146.34 -44.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.709 0.29 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 4.7 tt0 -122.52 99.76 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 111.217 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.769 ' HA ' HG22 ' A' ' 107' ' ' THR . 2.0 tm? -70.23 91.21 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.728 HD12 ' HB1' ' A' ' 47' ' ' ALA . 29.2 mt 62.18 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -115.72 -35.47 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -76.88 159.17 30.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 71.0 p -117.34 114.22 23.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.807 HD22 ' CD2' ' A' ' 18' ' ' PHE . 2.6 pp -127.79 161.89 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.166 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.77 172.45 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -105.79 -50.23 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -52.52 -28.29 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.3 t -77.74 -28.88 50.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.15 135.71 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 20.7 t80 -174.04 148.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 15' ' ' ASN . 14.4 p -145.25 138.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.77 -172.61 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.08 83.21 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.98 -176.13 2.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.577 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.73 -173.91 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.617 2.211 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 t 58.84 21.6 9.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.1 m 53.3 29.02 7.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -83.57 61.04 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -170.4 -47.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.76 57.52 19.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -68.08 100.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.727 0.299 . . . . 0.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.69 32.46 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.73 105.07 0.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -68.62 82.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.35 -27.08 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.9 36.96 5.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.94 -174.55 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -145.5 133.89 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.558 ' CD2' ' ND2' ' A' ' 86' ' ' ASN . 32.7 m170 -114.73 119.05 35.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 84.4 m-85 -107.1 109.41 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.566 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 t30 -58.15 106.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.827 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.4 tp -89.02 125.86 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.459 ' ND2' ' OD1' ' A' ' 82' ' ' ASP . 14.4 m120 -144.14 141.01 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 111.466 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.802 ' HB2' HG22 ' A' ' 123' ' ' VAL . 21.7 p90 -178.17 112.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.478 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -67.63 133.72 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.243 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.576 HD11 HG21 ' A' ' 81' ' ' VAL . 22.3 mt -103.08 100.11 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.1 p -53.14 -28.69 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.243 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -94.44 44.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.649 HD21 HG23 ' A' ' 40' ' ' THR . 0.6 OUTLIER -151.93 91.83 3.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.62 144.35 54.45 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.481 2.121 . . . . 0.0 112.334 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -103.72 128.99 51.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.5 p -132.23 179.02 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.7 -30.38 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.546 ' HA ' HG21 ' A' ' 34' ' ' THR . 3.1 m-20 -65.8 -46.96 76.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.699 HD11 ' HG3' ' A' ' 36' ' ' LYS . 29.6 mm -66.42 -14.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.59 36.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.264 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 6.2 mt-30 -119.21 137.35 25.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 5.8 Cg_exo -73.99 -2.56 12.45 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.674 2.249 . . . . 0.0 112.745 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 t -94.27 32.63 1.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.638 0.256 . . . . 0.0 111.292 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.546 HG21 ' HA ' ' A' ' 28' ' ' ASP . 5.6 p -138.66 140.06 38.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m -57.56 -38.99 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.699 ' HG3' HD11 ' A' ' 29' ' ' ILE . 11.4 tptp -59.13 -29.21 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.6 t80 -73.74 -61.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.62 -30.64 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.31 -52.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.649 HG23 HD21 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -60.95 -44.65 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.97 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.647 ' CG ' HG11 ' A' ' 66' ' ' VAL . 14.0 ttmt -59.43 -56.3 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -58.81 -38.76 79.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -60.11 -50.83 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.458 HD12 ' CZ ' ' A' ' 69' ' ' PHE . 28.0 mt -71.31 -47.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -29.8 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.81 -45.19 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.846 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.27 -37.28 83.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 48' ' ' LEU . 15.7 mt -71.95 -30.96 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -57.73 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -63.25 -26.91 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 51' ' ' LEU . 4.0 tt -63.74 -30.4 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.1 m-85 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 -56.03 -23.45 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -88.14 -29.04 20.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.3 p -62.69 168.86 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 p -70.61 -26.96 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' HZ ' ' A' ' 87' ' ' PHE . 24.9 pt -94.16 46.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -89.53 52.35 2.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -137.59 -52.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 43.8 m-85 -88.21 -30.24 19.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 t80 -56.98 107.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -76.87 -60.76 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -177.2 176.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -111.77 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -96.25 101.17 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.647 HG11 ' CG ' ' A' ' 41' ' ' LYS . 10.4 p -73.08 107.88 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.11 -65.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.39 -176.1 2.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CZ ' HD12 ' A' ' 44' ' ' ILE . 58.1 m-85 -113.68 136.17 53.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -88.92 131.95 34.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 t -87.77 112.13 22.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -71.16 179.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.59 161.1 38.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 60.82 34.85 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -176.79 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.15 26.8 16.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -113.29 -22.43 10.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -103.36 172.02 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -150.39 110.7 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 112.56 4.96 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.576 HG21 HD11 ' A' ' 20' ' ' ILE . 48.2 t -73.62 133.5 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.459 ' OD1' ' ND2' ' A' ' 17' ' ' ASN . 0.5 OUTLIER -122.51 78.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.367 179.653 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.606 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.63 175.92 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.607 HD12 ' OD1' ' A' ' 86' ' ' ASN . 1.2 tm? -135.26 103.47 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.827 ' SG ' HD13 ' A' ' 16' ' ' LEU . 14.7 m -67.52 76.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 110.463 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.607 ' OD1' HD12 ' A' ' 84' ' ' LEU . 1.0 OUTLIER -69.23 146.03 52.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.626 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 13.5 m-85 -133.31 148.92 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -56.8 153.88 20.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.34 -31.2 94.56 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.557 2.171 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.0 -31.49 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -66.28 135.52 54.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.94 33.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -167.58 33.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 21.2 t -97.33 87.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.57 156.77 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.463 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -63.61 -29.65 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.65 -59.88 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.653 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.4 mt -69.84 -23.69 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.751 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.8 t80 -75.83 -41.57 52.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.463 ' HG3' HG12 ' A' ' 97' ' ' VAL . 5.1 mt-10 -74.95 -41.3 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.27 -37.71 78.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 107' ' ' THR . 35.0 t80 -71.58 -47.63 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.3 mt -60.06 -42.18 93.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -42.81 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 tpp -78.12 -28.71 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.21 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 113' ' ' LEU . 42.9 p -97.08 26.42 4.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.0 m170 51.59 78.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 52.04 26.32 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 66.57 70.43 1.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.421 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -139.61 -46.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.7 119.83 19.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.0 tm? -95.03 92.24 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.724 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.846 HD12 ' HB1' ' A' ' 47' ' ' ALA . 33.4 mt 61.03 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -131.76 29.52 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.773 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -141.02 109.33 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.2 p -75.82 115.98 16.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.004 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.774 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -128.91 160.41 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.504 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -85.72 159.94 19.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 120' ' ' ARG . 21.8 ttp-105 -90.5 -42.77 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -34.33 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.3 p -71.37 -29.76 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.802 HG22 ' HB2' ' A' ' 18' ' ' PHE . 38.9 t -63.5 145.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -171.59 127.27 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.818 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.559 HG13 ' O ' ' A' ' 125' ' ' VAL . 11.3 p -128.18 112.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.2 161.63 25.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.2 m -75.38 90.59 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.75 -177.77 1.33 Allowed Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.72 -48.06 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.567 2.178 . . . . 0.0 112.458 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.3 p 176.37 135.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 m -93.8 175.33 6.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -142.04 157.68 44.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -138.4 82.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.75 -52.65 40.6 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -61.73 146.82 48.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.322 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.6 137.59 5.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 92.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -106.04 -174.82 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.71 105.88 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.829 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.9 p -130.67 131.91 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.29 160.69 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -120.77 152.19 38.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.511 ' HB3' HD11 ' A' ' 84' ' ' LEU . 2.0 m-70 -117.12 133.45 55.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 16.6 m-85 -125.26 104.42 8.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.752 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.485 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.1 m120 -52.59 111.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.267 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.86 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.0 tp -99.06 115.27 28.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -130.6 140.2 50.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 111.249 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.827 ' CD2' HD22 ' A' ' 118' ' ' LEU . 15.7 p90 -178.25 127.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.57 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -84.84 138.61 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.392 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.734 HG22 ' H ' ' A' ' 22' ' ' ASN . 23.1 mt -106.97 130.18 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.877 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 p -96.17 20.79 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.734 ' H ' HG22 ' A' ' 20' ' ' ILE . 36.4 t30 -113.22 -31.26 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' HG21 ' A' ' 40' ' ' THR . 1.4 tm? -91.91 105.0 11.91 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.33 130.65 22.96 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.334 2.023 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.03 153.57 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -162.05 162.94 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -30.96 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.831 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.1 m-20 -69.6 -42.46 74.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HE3' ' A' ' 36' ' ' LYS . 42.0 mm -63.43 -17.09 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.76 28.33 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.99 109.53 0.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.98 -21.87 22.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.468 2.112 . . . . 0.0 112.504 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -56.27 -34.23 66.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.831 HG21 ' HA ' ' A' ' 28' ' ' ASP . 25.9 p -76.92 164.9 25.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.494 HG22 ' HG3' ' A' ' 39' ' ' GLN . 6.9 m -83.13 -29.46 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.704 ' HE3' HD11 ' A' ' 29' ' ' ILE . 5.0 tttp -58.23 -30.02 66.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 41' ' ' LYS . 61.8 t80 -71.97 -55.62 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.73 -38.59 88.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.494 ' HG3' HG22 ' A' ' 35' ' ' THR . 15.1 mt-30 -60.04 -57.54 12.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.555 HG21 ' HG ' ' A' ' 23' ' ' LEU . 90.3 m -64.64 -38.78 92.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.746 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.73 ' CG ' HG11 ' A' ' 66' ' ' VAL . 15.1 ttpt -60.33 -36.49 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -39.96 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -45.96 92.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -67.2 -40.92 86.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.59 -30.49 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.6 -47.11 28.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.049 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -61.76 -42.41 98.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 92.2 mt -68.22 -32.99 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.04 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -55.78 -64.54 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.04 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.35 -27.37 62.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' O ' ' HE3' ' A' ' 106' ' ' MET . 6.8 tt -58.85 -36.22 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.78 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 49' ' ' ASN . 1.5 m-85 -73.67 -47.09 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -26.16 36.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -104.33 -16.24 15.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.409 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 52.2 p -54.16 158.16 2.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.776 0.322 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -64.29 -25.39 68.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.9 pt -103.88 51.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -85.62 50.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.208 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -146.69 18.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.079 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.447 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 18.4 m-85 -162.65 -43.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.942 0.401 . . . . 0.0 110.711 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -52.98 121.05 6.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 t -89.64 -60.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -179.15 -178.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.68 168.23 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -134.65 98.31 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.73 HG11 ' CG ' ' A' ' 41' ' ' LYS . 8.0 p -66.51 102.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.32 -56.65 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.37 -173.77 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.35 167.36 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -128.22 141.71 51.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.84 147.67 28.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 78' ' ' HIS . 5.9 m -113.19 148.37 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -95.69 173.31 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.23 -77.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -97.13 114.97 26.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -93.02 47.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -128.19 20.32 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.516 ' HB2' HG21 ' A' ' 72' ' ' VAL . 14.0 m-70 -134.02 179.06 6.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.746 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.7 m -159.81 123.88 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.28 150.49 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 20' ' ' ILE . 44.7 t -121.04 122.54 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 111.276 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.38 81.47 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.458 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.485 ' OG ' HD23 ' A' ' 16' ' ' LEU . 2.1 p -101.5 174.84 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.8 tm? -134.46 109.52 8.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.998 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.86 ' SG ' HD13 ' A' ' 16' ' ' LEU . 33.4 m -67.25 76.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.516 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.403 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 3.5 m-80 -70.2 145.54 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.239 -179.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 10.9 m-85 -130.19 144.07 51.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.799 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.01 155.32 64.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -55.92 -28.09 66.57 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.522 2.148 . . . . 0.0 112.272 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 90' ' ' LEU . 6.7 mp -68.34 -27.23 66.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.1 148.31 22.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -167.9 150.9 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.65 35.58 11.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.7 t -103.16 123.02 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -98.62 172.46 7.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -72.36 -34.19 67.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 t -66.83 -29.08 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.15 -60.38 3.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.719 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.2 mt -63.34 -26.33 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 104' ' ' LEU . 84.7 t80 -72.54 -45.52 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.43 -54.27 30.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -28.94 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.277 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -75.33 -31.57 60.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.124 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD11 ' CE2' ' A' ' 100' ' ' TYR . 71.2 mt -79.6 -29.6 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.089 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -35.71 76.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.409 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 3.0 tpp -84.67 -23.58 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.298 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.574 HG22 HD23 ' A' ' 113' ' ' LEU . 38.2 p -95.25 22.64 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.304 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 51.92 81.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 53.59 27.08 6.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.51 77.04 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.0 p -156.82 -43.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.441 ' HG3' HG22 ' A' ' 117' ' ' THR . 21.9 tt0 -125.12 100.07 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.199 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -76.39 89.58 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.435 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.049 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.7 mt 62.2 -80.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.85 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.66 -34.83 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.418 ' HE2' HD23 ' A' ' 23' ' ' LEU . 52.4 m-85 -80.6 129.98 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 112' ' ' GLN . 21.7 p -93.57 115.55 28.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.3 pp -125.76 160.31 30.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 0.0 111.222 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.63 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -69.02 -170.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.217 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -121.38 -43.68 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -39.76 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -65.42 -29.54 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.74 130.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -173.93 127.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -117.71 130.05 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.88 162.8 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 48.0 t -82.06 74.79 9.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.05 159.6 0.03 OUTLIER Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.818 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.95 114.45 2.8 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.689 2.259 . . . . 0.0 112.096 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.0 t -159.34 -64.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.4 t 69.0 -67.62 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -139.03 -47.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -60.73 104.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.86 76.32 0.12 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -132.65 -61.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -64.32 130.15 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.77 48.82 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t -142.8 152.54 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -176.66 -179.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.89 43.27 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 p -95.51 -178.96 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.713 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -159.44 131.97 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 111.052 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.633 ' HB3' HD11 ' A' ' 84' ' ' LEU . 7.8 m-70 -130.18 117.14 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.794 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 26.9 m-85 -106.41 110.88 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -55.69 109.33 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD13 ' SG ' ' A' ' 85' ' ' CYS . 15.4 tp -95.16 127.58 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -147.52 142.0 26.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.72 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.4 p90 -176.14 115.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.1 m -65.4 130.9 44.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 HG21 ' A' ' 81' ' ' VAL . 38.7 mt -105.31 95.98 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.0 p -56.27 -27.2 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -71.51 -15.81 62.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.647 ' HG ' HG21 ' A' ' 40' ' ' THR . 1.6 tm? -114.18 91.76 24.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' O ' HD13 ' A' ' 23' ' ' LEU . 34.1 Cg_exo -59.63 162.08 16.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.525 2.15 . . . . 0.0 112.074 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 9.0 t80 -116.09 97.79 6.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -98.02 -176.53 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.62 -29.12 65.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.736 ' HA ' HG21 ' A' ' 34' ' ' THR . 2.6 m-20 -59.46 -50.12 75.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.92 -29.02 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.075 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -59.94 -20.4 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -128.19 119.85 20.99 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.25 -22.78 34.15 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.446 2.097 . . . . 0.0 112.444 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 t -56.2 -28.85 59.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.736 HG21 ' HA ' ' A' ' 28' ' ' ASP . 73.4 p -71.97 160.11 33.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' HG3' ' A' ' 39' ' ' GLN . 1.6 m -83.05 -28.11 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -61.57 -51.7 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.9 -34.1 71.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.7 mt-30 -58.85 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.041 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.647 HG21 ' HG ' ' A' ' 23' ' ' LEU . 76.2 m -60.9 -33.17 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.993 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.48 -42.96 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.091 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -78.16 -29.65 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 t -65.62 -47.19 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.77 -47.46 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -30.7 67.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' O ' ' NE2' ' A' ' 50' ' ' GLN . 51.8 t30 -80.86 -37.06 30.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.041 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -72.38 -33.33 67.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 14.5 mt -71.1 -39.3 72.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -57.82 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.975 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 46' ' ' ASN . 1.2 pt20 -59.97 -30.51 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 51' ' ' LEU . 10.0 tt -66.59 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 17.8 m-85 -75.06 -35.67 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -13.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.341 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -109.37 30.29 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 p -123.2 169.58 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -70.61 -27.71 64.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.79 43.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 45.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.1 m -126.44 -43.3 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.643 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 60.5 m-85 -106.12 -29.8 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.505 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.6 t80 -57.89 126.99 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.2 p -98.48 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.41 -173.63 1.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.23 158.82 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -123.05 96.12 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.636 ' O ' HG13 ' A' ' 66' ' ' VAL . 7.8 p -68.69 98.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.45 -64.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.64 -178.22 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -111.54 136.98 49.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -103.52 155.52 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 41.4 t -114.22 110.08 19.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.85 149.92 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.6 p -113.08 80.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -163.35 -66.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -99.16 -25.9 14.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.974 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.58 29.35 13.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.96 23.24 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.012 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -131.63 -169.83 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 m -164.46 115.93 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 113.62 4.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.371 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 20' ' ' ILE . 42.2 t -77.09 134.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.84 81.78 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.474 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.66 179.98 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.253 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 13' ' ' HIS . 3.1 tm? -137.81 111.28 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.837 ' SG ' HD13 ' A' ' 16' ' ' LEU . 35.5 m -66.08 79.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.327 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -68.3 139.99 55.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.398 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.705 ' CE2' HG11 ' A' ' 94' ' ' VAL . 7.1 m-85 -129.25 164.18 24.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.87 148.63 57.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.92 -27.02 83.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.559 2.173 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 90' ' ' LEU . 6.5 mp -58.24 -32.63 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.713 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -71.45 -178.51 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.29 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -94.45 37.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 87' ' ' PHE . 21.9 t -99.79 108.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 160.86 14.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.037 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.09 73.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -59.98 -30.82 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.08 -62.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.787 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.7 mt -67.46 -16.94 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.639 ' HB2' HG11 ' A' ' 125' ' ' VAL . 33.4 t80 -81.16 -42.29 21.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.87 -29.91 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -74.91 -32.45 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.59 -48.93 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.444 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 66.6 mt -61.82 -39.77 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -60.19 -36.75 78.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 tpp -81.11 -29.4 34.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 113' ' ' LEU . 57.2 p -95.45 22.24 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.8 m80 54.24 71.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.0 t30 58.22 32.46 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.038 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.32 68.93 1.44 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.5 p -134.9 -45.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.748 0.309 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -140.47 105.7 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.101 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.738 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -78.89 97.42 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.041 HD12 ' HB1' ' A' ' 47' ' ' ALA . 69.2 mt 61.75 -80.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.4 t-20 -136.65 35.99 2.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -143.86 107.71 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.6 p -72.2 114.07 9.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.72 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.9 pp -128.61 160.46 32.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.44 160.82 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -97.08 -42.56 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -32.4 69.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.3 p -70.34 -25.69 63.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 41.6 t -57.51 152.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -169.83 115.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' A' ' 100' ' ' TYR . 8.2 p -120.43 79.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.998 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.48 147.54 24.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 30.8 t -70.85 97.71 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 55.53 -131.41 49.11 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.27 -48.87 1.5 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.329 2.019 . . . . 0.0 112.203 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.26 35.84 26.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.1 p -80.35 77.76 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.81 132.36 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -109.63 -31.34 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 46.33 0.95 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.562 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 60.35 178.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -177.54 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.75 -50.4 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 t 68.28 -69.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.994 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -131.02 102.26 5.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.25 156.6 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.96 179.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -142.88 168.52 19.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.814 ' HB3' HD11 ' A' ' 84' ' ' LEU . 16.1 m-70 -137.62 128.16 26.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 89.4 m-85 -117.78 109.65 16.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -50.87 105.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.395 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD23 ' OG ' ' A' ' 83' ' ' SER . 20.5 tp -85.72 138.41 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.2 m-80 -152.63 134.72 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.358 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CD2' HD22 ' A' ' 118' ' ' LEU . 26.9 p90 -176.81 113.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.645 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -74.74 138.73 42.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 HG21 ' A' ' 81' ' ' VAL . 15.5 mt -101.08 146.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.906 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.0 p -108.47 33.22 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' ILE . 20.5 t30 -153.62 30.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.473 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -136.83 94.49 12.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.766 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 23' ' ' LEU . 29.1 Cg_endo -63.2 126.89 18.79 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.073 . . . . 0.0 112.353 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 26' ' ' SER . 15.0 t80 -85.56 156.86 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.4 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 37.8 m -161.72 172.45 16.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -31.05 69.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.861 ' HA ' HG21 ' A' ' 34' ' ' THR . 65.4 m-20 -60.58 -43.36 97.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.723 HD11 ' HG3' ' A' ' 36' ' ' LYS . 37.3 mm -64.6 -15.41 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.437 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.78 20.31 10.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.268 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.44 115.86 1.16 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.721 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 35.6 Cg_exo -59.31 -18.39 45.06 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.436 2.09 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -62.04 -31.9 72.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.089 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.861 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.5 p -77.73 166.02 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.072 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 39' ' ' GLN . 8.2 m -83.06 -37.11 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.723 ' HG3' HD11 ' A' ' 29' ' ' ILE . 16.3 tptm -54.22 -28.55 41.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 55.4 t80 -67.22 -59.47 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.94 -35.82 81.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.458 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.1 mt-30 -60.07 -52.54 64.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.7 m -72.86 -38.58 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.62 ' CG ' HG11 ' A' ' 66' ' ' VAL . 22.9 tttt -65.62 -32.93 74.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -82.14 -32.57 30.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -61.08 -56.45 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.34 -42.01 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.43 -30.88 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.647 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -76.94 -41.54 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.087 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.92 -44.67 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 13.7 mt -62.0 -39.58 92.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -80.97 -23.73 38.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 103' ' ' PHE . 7.0 tt -78.04 -36.73 48.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 13.6 m-85 -68.2 -50.66 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -23.95 57.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -100.42 -25.12 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 97.7 p -56.2 162.39 2.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.147 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 p -58.51 -22.15 54.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -110.56 55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.026 0.441 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 25.25 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.332 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.6 p -129.22 19.83 5.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.98 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.445 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 20.4 m-85 -152.23 -45.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 52' ' ' PHE . 2.6 t80 -54.77 115.79 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.9 p -76.77 -73.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -159.33 -174.02 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.44 141.61 47.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -115.17 93.7 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.62 HG11 ' CG ' ' A' ' 41' ' ' LYS . 12.0 p -68.56 115.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.15 -66.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.13 -169.87 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -122.5 131.47 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -94.15 115.02 27.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -80.13 111.17 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 75' ' ' ASN . 7.6 m -70.8 140.02 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.7 m -93.96 -28.11 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -57.36 -36.13 70.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.601 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -152.95 128.46 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -82.52 75.81 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -164.86 -43.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.572 ' HB2' HG21 ' A' ' 72' ' ' VAL . 3.2 m-70 -78.8 176.35 9.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 83.3 m -161.71 133.6 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.37 119.46 4.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.653 HG21 HD11 ' A' ' 20' ' ' ILE . 43.9 t -87.35 93.79 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.23 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.54 87.44 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.655 ' OG ' HD23 ' A' ' 16' ' ' LEU . 1.6 p -108.94 -177.33 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.9 tm? -137.65 119.99 15.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' HD13 ' A' ' 16' ' ' LEU . 4.8 m -70.03 84.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.95 128.36 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.016 -179.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.596 ' CE1' HD11 ' A' ' 99' ' ' ILE . 6.1 m-85 -117.34 173.19 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.42 166.04 12.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.06 -33.45 73.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.518 2.146 . . . . 0.0 112.261 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.63 -25.87 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.999 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -56.68 143.52 35.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 94' ' ' VAL . 8.3 ttt-85 -89.13 -163.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.792 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -66.95 73.56 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.914 0.388 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' VAL . . . . . 0.464 HG21 ' CE2' ' A' ' 87' ' ' PHE . 20.1 t -70.02 152.07 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 159.29 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -59.01 -30.38 67.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.6 t -67.9 -29.04 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -63.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.8 mt -65.49 -20.82 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -80.97 -44.21 18.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.448 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.0 mt-10 -68.12 -50.19 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -41.33 86.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.037 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.441 ' O ' HG23 ' A' ' 107' ' ' THR . 32.6 t80 -61.06 -32.62 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.677 HD13 ' NH2' ' A' ' 120' ' ' ARG . 51.2 mt -77.51 -30.21 52.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -29.98 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 tpp -91.57 -23.58 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 113' ' ' LEU . 68.6 p -95.66 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.205 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 40.7 m80 52.76 66.97 1.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.927 0.394 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 t30 60.65 30.48 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.76 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.92 83.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.7 p -157.17 -45.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.033 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -133.98 112.29 11.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 113' ' ' LEU . 3.0 tm? -88.16 95.51 10.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.087 HD12 ' HB1' ' A' ' 47' ' ' ALA . 40.1 mt 61.32 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.73 33.32 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -145.64 117.32 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.5 p -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.796 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.0 pp -129.02 160.52 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.6 OUTLIER -77.52 156.41 30.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.637 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.677 ' NH2' HD13 ' A' ' 104' ' ' LEU . 35.3 ttt-85 -88.34 -47.92 8.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -57.76 -32.95 67.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.2 p -68.24 -31.08 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.785 HG22 ' HB2' ' A' ' 18' ' ' PHE . 24.8 t -65.46 138.54 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -171.04 135.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 125' ' ' VAL . 14.9 p -131.8 124.38 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.47 163.37 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.1 p -82.35 119.37 24.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -65.67 -65.28 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.45 -167.73 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.746 2.297 . . . . 0.0 112.213 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 m 59.97 166.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.5 p -150.58 141.73 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.78 -40.44 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.26 -70.0 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.03 81.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -95.4 -179.79 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -132.34 174.67 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.74 106.22 0.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.52 38.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 m -109.74 -31.16 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.67 -172.72 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t 61.05 156.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -141.55 156.27 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.573 ' HB3' HD11 ' A' ' 84' ' ' LEU . 7.2 m-70 -125.92 121.04 32.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.428 ' O ' HD13 ' A' ' 84' ' ' LEU . 71.2 m-85 -109.27 106.51 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.77 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.8 m120 -51.48 111.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.823 HD13 ' SG ' ' A' ' 85' ' ' CYS . 19.8 tp -96.25 127.0 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -143.75 141.82 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 111.416 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.76 ' CD2' HD22 ' A' ' 118' ' ' LEU . 27.8 p90 -178.83 121.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.595 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.2 m -75.17 137.37 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 81' ' ' VAL . 22.0 mt -106.03 119.18 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 30.2 p -75.62 -24.65 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -92.57 45.36 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -161.6 89.55 1.51 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.75 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.4 126.84 16.25 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.486 2.124 . . . . 0.0 112.335 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -78.02 91.87 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -110.32 177.0 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.15 -30.5 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 77.4 m-20 -60.78 -30.09 69.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.619 ' O ' HG22 ' A' ' 29' ' ' ILE . 28.6 mm -90.15 12.87 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.43 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 20.71 7.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 111.184 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.53 109.02 1.83 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.657 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 50.8 Cg_exo -54.86 -21.56 26.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.426 2.084 . . . . 0.0 112.551 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.9 t -58.39 -28.52 65.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 p -86.54 164.97 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.803 HG22 ' HG3' ' A' ' 39' ' ' GLN . 3.7 m -83.1 -30.51 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -57.76 -38.74 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.113 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 58.4 t80 -70.26 -46.92 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.63 -31.37 68.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.803 ' HG3' HG22 ' A' ' 35' ' ' THR . 7.9 mt-30 -71.69 -57.62 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.409 HG22 HD11 ' A' ' 44' ' ' ILE . 18.8 m -57.43 -42.42 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.055 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -59.99 -50.77 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.68 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 40' ' ' THR . 18.3 mt -69.01 -50.48 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -38.12 81.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.38 -39.78 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 1.051 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.09 -38.49 85.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 51.0 mt -65.06 -49.54 69.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -31.26 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.45 -29.42 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.38 -40.55 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.1 m-85 -64.52 -44.36 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -28.12 60.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.63 -23.45 15.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.451 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 18.9 p -54.77 168.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.062 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -64.71 -31.63 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.781 HG23 ' OE2' ' A' ' 102' ' ' GLU . 33.9 pt -96.95 47.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -82.74 59.31 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.0 t -151.92 -46.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.53 -30.27 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -59.89 114.05 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -80.27 -68.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -177.3 179.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 158.27 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -124.46 96.79 5.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.619 ' O ' HG13 ' A' ' 66' ' ' VAL . 9.6 p -67.89 104.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD12 ' OD1' ' A' ' 82' ' ' ASP . 14.3 mt -72.39 -61.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.1 174.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -101.32 137.59 39.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.17 103.5 14.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p -58.79 154.56 14.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.55 145.55 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 m -91.95 -35.56 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.52 -69.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -119.68 97.94 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.57 -27.97 42.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.72 -27.85 63.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -89.71 167.88 12.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.0 m -155.25 122.28 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.73 134.78 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.603 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 20' ' ' ILE . 51.3 t -103.24 125.16 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.518 ' OD1' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -110.43 84.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -109.8 172.8 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -134.42 111.81 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.823 ' SG ' HD13 ' A' ' 16' ' ' LEU . 15.0 m -70.92 75.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.48 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -70.96 155.12 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.477 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 15.6 m-85 -141.73 156.02 45.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 166.29 7.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.36 -40.64 7.87 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.545 2.163 . . . . 0.0 112.209 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.3 -28.74 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.57 100.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.55 30.51 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.76 69.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.8 100.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.83 159.47 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -66.59 -31.13 71.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.66 -27.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 -59.83 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.209 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.69 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.5 mt -65.61 -23.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.527 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.9 t80 -75.61 -43.5 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.36 -45.17 48.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.781 ' OE2' HG23 ' A' ' 57' ' ' ILE . 33.5 mt-10 -63.45 -30.62 71.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' PHE . . . . . 0.573 ' O ' HG23 ' A' ' 107' ' ' THR . 33.6 t80 -75.06 -40.0 60.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 100' ' ' TYR . 8.8 mt -71.75 -32.84 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.53 -34.02 76.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.451 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 4.1 tpp -85.31 -22.23 28.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 113' ' ' LEU . 58.2 p -96.61 32.9 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 57.73 57.34 4.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.62 40.31 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.09 76.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.2 p -157.24 -45.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -137.0 115.36 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.246 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.3 tm? -85.81 94.87 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.632 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 1.051 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.6 mt 62.37 -79.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -133.96 42.4 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.404 ' HE1' HD23 ' A' ' 23' ' ' LEU . 37.9 m-85 -154.89 117.23 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.6 p -81.75 113.73 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.76 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.5 pp -128.02 160.05 33.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.636 ' O ' HD12 ' A' ' 118' ' ' LEU . 2.1 t70 -65.01 173.61 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -112.2 -49.9 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -38.23 80.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -59.57 -30.42 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 18' ' ' PHE . 19.7 t -63.26 139.38 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -165.52 126.3 1.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 125' ' ' VAL . 11.9 p -126.69 117.8 49.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.82 165.38 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.1 111.12 10.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.12 -102.43 0.01 OUTLIER Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.518 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.51 -8.43 23.25 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.536 2.157 . . . . 0.0 112.597 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.7 155.69 0.1 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.2 t -70.21 74.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.523 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.526 0.053 0 CA-C-O 120.83 0.348 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.15 152.4 48.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.645 ' HB3' HD11 ' A' ' 84' ' ' LEU . 11.6 m170 -121.52 129.82 53.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.467 ' O ' HD22 ' A' ' 84' ' ' LEU . 37.2 m-85 -115.37 133.93 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.4 m120 -78.94 110.62 14.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.821 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.1 tp -96.27 127.38 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -143.4 139.59 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 111.474 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.923 ' HB2' HG22 ' A' ' 123' ' ' VAL . 22.3 p90 -178.11 113.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.558 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -69.45 137.29 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.362 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 81' ' ' VAL . 44.8 mt -106.11 103.37 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 p -55.53 -25.26 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.76 51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.0 0.429 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.604 HD23 ' HE2' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -169.94 95.68 0.49 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.13 143.71 60.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.447 2.098 . . . . 0.0 112.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 16.6 t80 -85.99 87.83 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -93.75 177.27 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.7 -32.76 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.842 ' HA ' HG21 ' A' ' 34' ' ' THR . 73.6 m-20 -62.27 -45.12 94.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.452 HD11 ' HG3' ' A' ' 36' ' ' LYS . 39.4 mm -63.52 -17.27 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.09 -27.47 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 34' ' ' THR . 2.9 mm100 -111.56 120.43 42.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.6 Cg_exo -62.05 -12.86 28.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.493 2.128 . . . . 0.0 112.789 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -93.01 35.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.787 0.327 . . . . 0.0 111.267 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.842 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.4 p -125.55 170.15 11.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -82.27 -46.84 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.452 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.55 -27.11 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 25.3 t80 -79.69 -59.17 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -57.96 -42.66 85.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -59.44 -60.44 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.3 m -59.87 -35.96 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.06 -44.02 95.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -82.92 -31.13 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -59.94 -50.52 73.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.36 -46.03 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.58 -31.87 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -75.54 -38.24 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.773 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.998 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -69.03 -35.71 76.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.4 -32.16 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.39 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.86 -20.23 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.411 ' O ' ' HE3' ' A' ' 106' ' ' MET . 8.9 tt -76.65 -35.44 57.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 23.6 m-85 -66.43 -53.35 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.995 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -55.62 -24.07 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -93.69 -27.66 16.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.424 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 80.9 p -59.02 170.55 0.84 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 t -69.96 -29.7 66.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.2 pt -93.56 46.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -87.66 53.73 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.72 -46.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.787 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.571 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 53.7 m-85 -92.8 -31.0 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 10.5 t80 -73.0 119.41 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.74 -73.82 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -160.47 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.15 159.26 23.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -128.1 101.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.6 p -73.02 97.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.55 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.13 -165.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -121.63 146.0 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mmm-85 -116.79 151.81 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 30.7 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.335 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -136.88 -175.34 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.8 m -158.13 122.15 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.12 114.33 3.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.354 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 20' ' ' ILE . 33.5 t -78.95 112.61 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.314 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.08 85.32 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.48 178.27 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -138.02 104.78 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.871 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.821 ' SG ' HD13 ' A' ' 16' ' ' LEU . 21.3 m -66.71 75.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 14.9 m-80 -68.82 149.22 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CE2' HG11 ' A' ' 94' ' ' VAL . 7.3 m-85 -129.4 178.55 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.82 166.06 14.71 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.15 -27.87 73.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.506 2.137 . . . . 0.0 112.214 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.33 -31.08 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -61.51 113.67 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.36 -41.61 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -100.04 80.98 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.52 HG11 ' CE2' ' A' ' 87' ' ' PHE . 26.9 t -133.51 122.19 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.024 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.48 168.21 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.1 mtm-85 -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.65 -25.79 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.213 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.04 -62.96 1.31 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.753 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.8 mt -65.9 -24.32 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 104' ' ' LEU . 64.6 t80 -70.79 -42.7 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.15 -36.41 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.065 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.53 -29.63 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -83.94 -30.01 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 100' ' ' TYR . 30.5 mt -74.87 -32.34 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -39.07 90.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.158 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.424 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 2.5 tpp -81.92 -26.81 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.692 HG22 HD23 ' A' ' 113' ' ' LEU . 73.4 p -94.59 20.74 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.29 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.8 m170 51.3 67.73 0.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 61.11 31.19 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.85 67.56 2.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.435 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -137.42 -46.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.682 0.277 . . . . 0.0 111.027 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.489 ' HG3' HG22 ' A' ' 117' ' ' THR . 5.5 tt0 -131.59 103.35 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.0 tm? -87.75 88.09 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.998 HD12 ' HB1' ' A' ' 47' ' ' ALA . 35.5 mt 61.52 -80.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.084 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 13.3 t30 -134.1 33.54 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.604 ' HE2' HD23 ' A' ' 23' ' ' LEU . 29.1 m-85 -148.53 98.08 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.489 HG22 ' HG3' ' A' ' 112' ' ' GLN . 22.7 p -66.02 118.51 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -131.89 159.55 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.014 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.655 ' O ' HD12 ' A' ' 118' ' ' LEU . 1.3 t70 -72.79 172.78 10.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.205 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.409 ' HG3' HD22 ' A' ' 104' ' ' LEU . 5.3 ttp85 -109.66 -50.23 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -58.84 -35.1 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 100.0 p -64.89 -35.01 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.813 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 18' ' ' PHE . 21.3 t -60.21 147.43 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -173.96 136.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -122.26 136.63 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.8 -172.2 3.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.88 0.371 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.03 155.71 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.8 ' HB3' HD11 ' A' ' 84' ' ' LEU . 64.9 m170 -124.51 147.37 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 94' ' ' VAL . 38.5 m-85 -137.7 126.74 24.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.738 ' O ' HG23 ' A' ' 125' ' ' VAL . 1.7 t-20 -66.53 114.23 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.833 HD13 ' SG ' ' A' ' 85' ' ' CYS . 27.4 tp -96.26 129.29 43.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -148.18 144.27 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.037 0.446 . . . . 0.0 111.359 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.899 ' HB2' HG22 ' A' ' 123' ' ' VAL . 19.7 p90 -176.61 113.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.464 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -67.89 131.17 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.579 HG22 ' H ' ' A' ' 22' ' ' ASN . 22.2 mt -105.04 133.19 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.422 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 50.8 p -97.74 30.05 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.579 ' H ' HG22 ' A' ' 20' ' ' ILE . 40.5 t30 -123.27 -42.99 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -78.31 112.38 25.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.46 112.91 3.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' HG23 ' A' ' 79' ' ' THR . 8.0 t80 -69.2 130.23 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 m -143.38 -173.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.48 -50.05 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.734 HD11 ' CE ' ' A' ' 36' ' ' LYS . 39.6 mm -72.61 -19.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.323 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.74 30.22 2.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.03 106.33 1.02 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.76 64.22 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.479 2.119 . . . . 0.0 112.291 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -165.37 31.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 p -134.88 176.29 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 m -83.02 -34.0 26.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.734 ' CE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -71.12 -32.74 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -63.61 -59.49 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.96 -28.93 67.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -57.25 -65.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.406 HG21 ' HG ' ' A' ' 23' ' ' LEU . 22.6 m -67.05 -30.64 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.033 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HG2' HG11 ' A' ' 66' ' ' VAL . 17.0 tttm -58.25 -33.5 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -31.74 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -52.21 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.555 HD12 ' CE1' ' A' ' 69' ' ' PHE . 44.2 mt -62.97 -45.08 99.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.022 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.31 -29.85 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -75.73 -44.72 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.015 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -63.43 -34.05 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 55.0 mt -71.13 -33.65 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -63.41 -59.73 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.023 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -56.31 -30.21 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.643 HD12 HD21 ' A' ' 113' ' ' LEU . 5.4 tt -63.96 -45.05 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 10.1 m-85 -61.45 -29.9 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -27.22 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -96.79 25.71 5.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -122.92 170.67 9.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -59.66 -32.38 70.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.5 pt -94.38 46.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -94.52 43.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -136.2 -46.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 24.4 m-85 -91.21 -32.23 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 1.8 t80 -60.62 133.93 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.74 -70.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -161.87 -171.49 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 25.9 p -123.17 174.83 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -144.23 100.29 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 66' ' ' VAL . 8.3 p -71.68 105.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.551 HD12 ' OD1' ' A' ' 82' ' ' ASP . 18.3 mt -71.43 -58.3 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.99 -177.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 44' ' ' ILE . 63.9 m-85 -115.32 131.41 56.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -78.86 157.43 28.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.987 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.753 0.311 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 8.7 m170 -80.18 -179.08 6.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.775 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.43 HG23 ' CD1' ' A' ' 25' ' ' TYR . 86.1 m -152.47 113.06 4.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.06 117.43 9.13 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.656 HG11 ' CE1' ' A' ' 18' ' ' PHE . 61.9 t -80.68 136.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.551 ' OD1' HD12 ' A' ' 67' ' ' LEU . 1.6 t70 -128.14 74.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.557 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -97.88 176.13 5.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.98 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.3 tm? -133.51 106.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.833 ' SG ' HD13 ' A' ' 16' ' ' LEU . 57.9 m -65.43 78.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.655 ' ND2' HD12 ' A' ' 84' ' ' LEU . 20.3 m-80 -75.36 139.36 42.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.0 m-85 -120.72 174.06 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.49 165.41 16.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.77 -27.78 68.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.569 2.18 . . . . 0.0 112.282 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.89 -28.25 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.2 156.42 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.185 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.12 128.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.58 71.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 27.7 t -124.15 103.16 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.49 151.52 45.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -31.25 72.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -66.2 -29.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -57.5 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.707 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.4 mt -61.32 -27.87 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 104' ' ' LEU . 71.8 t80 -72.0 -49.42 37.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 104' ' ' LEU . 4.6 mt-10 -59.91 -53.04 62.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.45 -29.41 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 107' ' ' THR . 80.1 t80 -72.67 -46.09 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.787 HD11 ' CE2' ' A' ' 100' ' ' TYR . 3.0 mt -61.27 -45.03 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -54.65 44.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.465 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.1 ttp -64.57 -27.9 69.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.321 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.688 HG22 HD23 ' A' ' 113' ' ' LEU . 80.4 p -94.63 20.0 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 52.32 70.2 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.53 34.16 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.46 61.21 7.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.586 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.3 p -127.38 -44.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.091 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -139.18 111.05 7.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -95.19 96.73 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.015 HD12 ' HB1' ' A' ' 47' ' ' ALA . 53.3 mt 61.84 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 113' ' ' LEU . 13.6 t30 -141.9 38.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -148.03 93.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -60.7 117.23 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.788 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.19 160.46 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.4 OUTLIER -81.05 160.36 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 -179.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.559 ' HG3' HD22 ' A' ' 104' ' ' LEU . 9.1 ttp180 -98.68 -33.09 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.206 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 t -88.67 -31.21 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.899 HG22 ' HB2' ' A' ' 18' ' ' PHE . 26.5 t -59.27 139.27 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 18.8 t80 -174.01 152.28 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 15' ' ' ASN . 9.7 p -145.24 126.57 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.53 177.53 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.794 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.793 0.33 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -144.74 155.24 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.707 ' HB3' HD11 ' A' ' 84' ' ' LEU . 26.3 m170 -119.61 144.96 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -130.08 102.69 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.58 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -53.89 112.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.381 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.85 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.2 tp -97.45 129.08 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.038 0.447 . . . . 0.0 111.305 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.628 ' CD2' HD22 ' A' ' 118' ' ' LEU . 24.5 p90 -177.03 116.86 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.665 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -76.59 139.44 40.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.283 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 81' ' ' VAL . 20.7 mt -105.13 101.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 6.1 p -58.98 -28.25 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -73.13 -37.16 66.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.506 ' H ' HG22 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -87.92 109.56 28.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.29 174.19 13.23 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.425 2.083 . . . . 0.0 112.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 2.5 t80 -123.65 100.59 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -100.84 179.8 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -30.52 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HA ' HG21 ' A' ' 34' ' ' THR . 55.9 m-20 -59.05 -44.12 91.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 36' ' ' LYS . 35.5 mm -63.0 -17.96 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.43 -19.67 38.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.417 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -124.04 110.38 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.999 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.3 Cg_exo -54.16 -24.6 34.13 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.478 2.119 . . . . 0.0 112.348 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -56.09 -30.74 62.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 28' ' ' ASP . 51.0 p -76.89 165.32 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.5 m -82.98 -31.37 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.61 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -55.55 -30.03 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 64.6 t80 -75.26 -48.56 22.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -68.8 -41.19 79.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.83 -60.54 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.455 HG21 HD11 ' A' ' 23' ' ' LEU . 4.4 m -60.66 -46.25 91.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -57.67 -37.29 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -82.2 -29.64 31.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -53.57 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.002 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 69' ' ' PHE . 45.2 mt -61.32 -43.74 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -60.64 -30.39 69.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.15 -45.28 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.913 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -59.1 -40.23 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 30.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.78 -45.61 93.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -52.56 57.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -49.74 -34.56 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 64' ' ' CYS . 21.4 m-85 -62.86 -61.71 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -26.66 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.01 -29.7 39.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -60.78 165.99 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 t -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.5 pt -93.62 45.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -86.18 55.5 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -153.13 -47.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.645 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.3 m-85 -86.09 -30.52 22.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.795 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.9 t80 -61.49 119.76 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -84.48 -63.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.09 -179.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -118.07 164.55 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.4 108.04 6.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 66' ' ' VAL . 9.3 p -75.91 98.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' OD1' ' A' ' 82' ' ' ASP . 34.1 mt -58.83 -57.72 11.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.17 177.2 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 44' ' ' ILE . 61.9 m-85 -106.9 147.01 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -98.22 130.92 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.699 0.285 . . . . 0.0 111.146 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 5.5 m170 -122.55 -175.74 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.774 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.5 m -163.99 117.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 140.34 37.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.302 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 20' ' ' ILE . 23.7 t -112.25 87.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.395 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' HD12 ' A' ' 67' ' ' LEU . 2.0 t0 -84.66 85.16 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.452 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.603 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.73 -176.47 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.4 tm? -140.63 101.46 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.85 ' SG ' HD13 ' A' ' 16' ' ' LEU . 11.9 m -67.87 75.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.406 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.567 ' CG ' HD12 ' A' ' 84' ' ' LEU . 10.9 m-20 -69.83 155.59 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.168 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 99' ' ' ILE . 12.0 m-85 -139.72 153.26 47.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.65 167.0 40.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.11 -26.9 36.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.74 -29.65 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.645 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.46 166.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -170.33 126.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.52 44.84 6.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -85.2 89.96 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.8 148.69 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -59.29 -32.62 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 101' ' ' GLU . 18.7 t -59.78 -27.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -62.05 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.4 mt -67.93 -24.95 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.548 ' CE2' HD11 ' A' ' 104' ' ' LEU . 46.6 t80 -74.73 -42.7 57.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.643 ' HG3' HG12 ' A' ' 97' ' ' VAL . 2.7 mt-10 -75.29 -53.78 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.79 -29.97 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.548 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -60.69 -52.64 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.33 74.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.301 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.3 tpp -72.1 -28.91 63.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.78 HG22 HD23 ' A' ' 113' ' ' LEU . 49.2 p -92.4 14.76 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.45 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.6 m80 56.08 79.28 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.239 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 m120 57.9 28.83 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.324 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.405 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 56.85 40.96 90.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 p -120.02 -33.03 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.613 0.244 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.28 115.49 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.78 HD23 HG22 ' A' ' 107' ' ' THR . 2.1 tm? -99.54 96.56 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.619 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.913 HD12 ' HB1' ' A' ' 47' ' ' ALA . 26.8 mt 62.13 -80.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.02 29.96 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CE1' HD23 ' A' ' 23' ' ' LEU . 40.6 m-85 -142.32 107.7 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p -71.2 113.79 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 119' ' ' ASP . 4.1 pp -124.91 159.31 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.666 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -64.61 157.41 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.037 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -51.64 4.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.789 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.6 t -67.18 -31.18 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 18' ' ' PHE . 27.6 t -63.72 123.23 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.91 127.92 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 125' ' ' VAL . 12.2 p -121.3 109.72 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -115.11 156.29 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -134.84 139.21 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.658 ' HB3' HD11 ' A' ' 84' ' ' LEU . 12.0 m-70 -126.02 132.1 52.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.03 113.15 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.582 ' O ' HG23 ' A' ' 125' ' ' VAL . 2.3 m120 -56.61 115.62 2.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.779 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.9 tp -100.67 120.89 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.715 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -136.36 139.71 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.313 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' A' ' 118' ' ' LEU . 25.4 p90 -178.23 115.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.462 HG23 ' C ' ' A' ' 79' ' ' THR . 90.9 m -72.88 137.3 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.573 HD11 HG21 ' A' ' 81' ' ' VAL . 19.6 mt -102.5 101.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.4 p -55.37 -27.86 50.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -92.95 49.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -161.78 87.89 1.53 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.46 151.02 25.06 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.615 2.21 . . . . 0.0 112.26 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 35.4 t80 -108.47 114.66 28.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -126.01 176.26 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.71 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.12 -48.26 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.73 HD11 ' HG2' ' A' ' 36' ' ' LYS . 32.4 mm -68.09 -14.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.03 -23.43 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -110.81 108.18 57.87 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 15.3 Cg_exo -67.75 61.91 0.88 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.668 2.245 . . . . 0.0 112.216 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 t -143.89 -41.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.3 p -65.91 178.03 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -31.04 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.73 ' HG2' HD11 ' A' ' 29' ' ' ILE . 1.3 tttm -60.01 -37.37 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.421 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.8 t80 -72.82 -38.67 67.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.43 -30.35 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -55.91 8.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 m -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG3' HG11 ' A' ' 66' ' ' VAL . 16.2 tttt -57.79 -36.47 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -37.03 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -53.66 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.32 -43.98 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -32.06 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.767 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.56 -40.63 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.031 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -66.3 -33.17 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 46.1 mt -74.55 -31.83 62.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -58.24 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.98 -31.05 70.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.69 -41.18 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 11.5 m-85 -70.36 -33.23 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -95.49 -25.66 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.7 p -55.44 169.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -30.07 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.458 HD12 ' CE2' ' A' ' 87' ' ' PHE . 13.0 pt -99.72 48.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 57.1 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 p -144.9 -47.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.563 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.8 m-85 -106.82 24.37 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -110.33 106.06 15.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.842 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.9 t -67.45 -69.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.52 -171.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.72 139.84 47.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -112.73 91.98 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.794 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 66' ' ' VAL . 10.4 p -61.54 109.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.8 -61.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.87 174.21 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.89 150.8 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -118.2 161.68 19.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.408 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . 21.5 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.618 0.247 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -135.79 164.56 27.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.765 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' HG23 ' A' ' 19' ' ' THR . 45.4 m -146.85 129.41 15.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.42 116.58 4.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 20' ' ' ILE . 37.4 t -83.86 127.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -115.88 79.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.435 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.459 ' OG ' HD23 ' A' ' 16' ' ' LEU . 3.5 p -103.64 172.52 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.7 tm? -128.47 108.41 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.813 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' HD13 ' A' ' 16' ' ' LEU . 2.3 m -66.18 79.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.536 ' CG ' HD12 ' A' ' 84' ' ' LEU . 29.5 m-80 -73.23 145.51 46.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 99' ' ' ILE . 11.1 m-85 -133.78 158.45 43.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -72.91 146.39 87.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 88' ' ' SER . 25.7 Cg_exo -61.82 -25.86 78.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.559 2.173 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.34 -25.98 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -85.49 161.15 19.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -164.47 31.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 30.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.13 137.33 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.03 163.68 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.701 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -59.82 -34.02 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.38 -40.12 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.82 80.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.608 HD13 ' CE1' ' A' ' 87' ' ' PHE . 13.8 mt -71.08 -29.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.503 ' HE1' HG12 ' A' ' 123' ' ' VAL . 81.0 t80 -76.17 -44.11 39.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.44 -53.95 47.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.037 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 107' ' ' THR . 41.3 t80 -71.27 -34.13 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 100' ' ' TYR . 24.2 mt -64.25 -45.88 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -54.56 -59.78 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.404 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpp -59.12 -27.88 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.267 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.67 HG22 HD23 ' A' ' 113' ' ' LEU . 69.5 p -93.44 16.23 13.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.321 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.1 m80 53.78 67.05 1.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.5 t30 63.56 35.61 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.79 58.04 16.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.9 p -142.09 -43.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.273 . . . . 0.0 111.33 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -127.02 100.58 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -82.96 95.2 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.031 HD12 ' HB1' ' A' ' 47' ' ' ALA . 82.5 mt 59.96 -82.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -133.92 26.17 3.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.56 103.48 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.5 p -71.32 113.42 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -124.53 159.98 29.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.744 ' O ' HD12 ' A' ' 118' ' ' LEU . 5.3 t0 -59.78 171.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -111.22 -53.18 2.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -58.71 -34.25 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 p -65.94 -31.25 72.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.503 HG12 ' HE1' ' A' ' 100' ' ' TYR . 17.9 t -62.19 133.78 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -168.7 158.15 8.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.701 HG13 ' HB2' ' A' ' 96' ' ' ARG . 9.7 p -152.04 130.08 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.48 170.58 11.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.765 0.317 . . . . 0.0 110.809 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.8 136.38 11.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.596 ' HB3' HD11 ' A' ' 84' ' ' LEU . 14.9 m-70 -128.24 109.53 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.18 116.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.737 ' O ' HG23 ' A' ' 125' ' ' VAL . 0.5 OUTLIER -58.45 120.14 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.829 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.6 tp -98.61 127.61 44.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -141.69 137.13 31.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 0.0 111.601 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.756 ' CD2' HD22 ' A' ' 118' ' ' LEU . 29.0 p90 -177.69 113.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.512 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.485 HG23 ' O ' ' A' ' 79' ' ' THR . 93.4 m -71.93 140.54 49.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 81' ' ' VAL . 29.4 mt -106.96 140.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -102.15 38.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -151.63 36.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.693 ' HG ' HG21 ' A' ' 40' ' ' THR . 0.5 OUTLIER -152.61 100.54 2.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.76 140.58 47.01 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.35 2.033 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.75 109.37 22.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.92 -169.6 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.27 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.722 ' HA ' HG21 ' A' ' 34' ' ' THR . 5.4 m-20 -59.88 -44.72 94.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.635 HD11 ' HG2' ' A' ' 36' ' ' LYS . 36.2 mm -66.54 -13.94 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.41 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.26 -22.09 22.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.01 107.84 47.28 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.2 Cg_exo -52.94 -26.62 32.19 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.473 2.115 . . . . 0.0 112.41 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -58.38 -30.03 66.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.722 HG21 ' HA ' ' A' ' 28' ' ' ASP . 10.3 p -73.17 165.9 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.535 HG22 ' HG3' ' A' ' 39' ' ' GLN . 64.5 m -83.05 -34.33 26.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -54.09 -32.87 56.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE1' ' HD2' ' A' ' 41' ' ' LYS . 59.7 t80 -74.28 -55.87 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.535 ' HG3' HG22 ' A' ' 35' ' ' THR . 0.1 OUTLIER -53.64 -59.85 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.345 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.693 HG21 ' HG ' ' A' ' 23' ' ' LEU . 7.2 m -66.59 -41.28 88.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.68 ' HG2' HG11 ' A' ' 66' ' ' VAL . 16.3 tttt -57.77 -39.19 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.237 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -29.65 27.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.148 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.038 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 69' ' ' PHE . 46.1 mt -64.05 -47.24 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -46.44 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.24 -41.66 93.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.715 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.022 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -64.79 -41.29 95.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 81.6 mt -70.61 -29.35 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -59.59 4.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -61.19 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' HE2' ' A' ' 106' ' ' MET . 4.2 tt -58.83 -50.32 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 61' ' ' PHE . 8.8 m-85 -64.24 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -72.56 -28.85 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -113.6 31.05 6.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.1 p -108.08 165.25 11.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -59.16 -32.2 69.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.8 pt -107.33 52.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.16 28.17 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -116.3 -31.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 91' ' ' ALA . 44.1 m-85 -109.04 -30.06 8.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.057 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 t80 -59.06 127.55 32.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -64.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -173.78 -169.33 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 28.2 p -122.9 146.35 47.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -124.06 103.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.68 HG11 ' HG2' ' A' ' 41' ' ' LYS . 8.9 p -72.71 105.06 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.63 -55.81 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.79 179.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 44' ' ' ILE . 66.0 m-85 -113.4 127.5 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -97.17 160.12 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 16.5 m170 -69.96 161.96 28.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' THR . 68.2 m -142.8 143.52 32.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.89 130.9 10.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 20' ' ' ILE . 33.9 t -97.03 97.17 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.7 81.08 5.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.698 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.428 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -99.79 -178.39 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.8 tm? -137.81 112.42 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.829 ' SG ' HD13 ' A' ' 16' ' ' LEU . 63.6 m -70.05 78.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.435 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -66.47 141.19 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 99' ' ' ILE . 5.9 m-85 -128.82 158.76 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.679 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.1 164.47 36.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.02 -32.23 76.07 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.535 2.157 . . . . 0.0 112.165 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.35 -21.74 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . . . -49.34 128.77 17.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.462 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -138.7 134.49 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.34 75.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 t -130.92 151.97 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.7 158.43 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.95 -30.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.66 -62.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.712 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.7 mt -62.28 -23.64 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.557 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.7 t80 -72.99 -44.71 60.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.14 -45.84 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -29.58 66.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 107' ' ' THR . 43.7 t80 -76.93 -46.56 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.007 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 100' ' ' TYR . 19.1 mt -63.91 -36.3 83.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -66.01 -28.15 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.205 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.45 ' HE2' ' HG ' ' A' ' 51' ' ' LEU . 2.8 tpp -93.98 -26.1 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.225 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.546 HG22 HD23 ' A' ' 113' ' ' LEU . 61.2 p -96.57 25.58 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.302 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 53.23 66.39 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 111.183 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 t30 61.25 34.63 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.468 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 57.1 44.32 93.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.621 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 p -115.24 -30.01 6.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.619 ' OE1' HG23 ' A' ' 117' ' ' THR . 0.6 OUTLIER -145.59 127.73 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.085 -179.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 113' ' ' LEU . 3.2 tm? -104.71 89.08 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.364 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.022 HD12 ' HB1' ' A' ' 47' ' ' ALA . 25.4 mt 61.86 -79.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.81 30.63 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -138.95 99.41 3.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.01 117.37 7.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.756 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.0 pp -134.84 159.17 42.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.999 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -75.45 163.59 27.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 -179.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.44 ' HG3' HD22 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -97.0 -45.46 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.765 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.48 -35.85 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.2 p -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 18' ' ' PHE . 30.3 t -59.98 144.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 11.4 t80 -174.03 142.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 15' ' ' ASN . 12.8 p -141.77 134.8 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.04 -169.26 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.884 0.373 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.88 156.57 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.534 ' HB3' HD11 ' A' ' 84' ' ' LEU . 15.5 m-70 -128.44 130.56 47.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.16 109.7 14.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.1 t-20 -54.65 110.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.059 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.755 HD13 ' SG ' ' A' ' 85' ' ' CYS . 21.4 tp -95.2 130.48 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -151.15 144.7 24.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.961 0.41 . . . . 0.0 111.3 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.755 ' CD2' HD22 ' A' ' 118' ' ' LEU . 25.6 p90 -178.37 120.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.73 131.25 44.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 81' ' ' VAL . 30.6 mt -101.84 103.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.047 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -60.54 -29.99 69.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -88.79 53.58 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.63 100.07 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 142.91 46.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.487 2.125 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -96.16 93.34 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -97.15 -175.37 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -70.43 -31.22 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -61.64 -45.86 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.451 HD11 ' HG2' ' A' ' 36' ' ' LYS . 44.4 mm -58.3 -23.43 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.47 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.205 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.02 115.84 56.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 32.3 Cg_exo -58.3 -18.42 37.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.577 2.184 . . . . 0.0 112.623 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -95.35 36.97 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.7 p -116.78 171.24 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -79.65 -48.46 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -58.98 -29.49 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 34.4 t80 -79.5 -55.36 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.43 -32.56 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -69.08 -56.98 6.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.511 HG22 HD11 ' A' ' 44' ' ' ILE . 15.4 m -63.55 -36.97 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -62.6 -41.49 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.14 68.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -45.12 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.511 HD11 HG22 ' A' ' 40' ' ' THR . 11.5 mt -69.25 -49.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.12 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -79.17 -42.16 26.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.66 -40.09 92.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 91.6 mt -70.88 -30.59 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -65.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -60.0 -28.83 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.96 -43.2 91.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 13.2 m-85 -69.47 -45.76 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -59.63 -26.69 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -112.24 34.11 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p -109.03 -176.53 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -78.22 -29.89 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.411 HD12 ' CE2' ' A' ' 87' ' ' PHE . 27.3 pt -109.34 53.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -93.22 30.96 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.49 -35.41 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.574 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 30.4 m-85 -106.52 -24.82 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.7 t80 -57.2 144.36 35.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -109.01 -71.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -171.25 175.41 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.31 170.71 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -149.2 82.21 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.7 p -63.44 97.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.9 165.14 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -85.75 169.19 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -135.53 123.27 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -58.33 158.79 6.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.9 m -133.31 131.03 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.16 128.08 8.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 20' ' ' ILE . 45.9 t -94.12 137.39 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.1 79.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.426 ' OG ' HD23 ' A' ' 16' ' ' LEU . 3.9 p -106.08 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.086 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 85' ' ' CYS . 1.1 tm? -131.44 122.38 26.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.755 ' SG ' HD13 ' A' ' 16' ' ' LEU . 4.6 m -82.63 76.8 9.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.625 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.421 ' CG ' HD12 ' A' ' 84' ' ' LEU . 55.9 m-20 -71.91 148.44 46.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.011 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CE1' HD13 ' A' ' 99' ' ' ILE . 10.9 m-85 -133.73 165.65 24.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.87 151.22 86.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.65 -22.47 50.5 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.563 2.175 . . . . 0.0 112.42 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.42 -34.61 69.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -64.81 159.01 23.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.25 31.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.54 37.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -89.6 143.3 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.23 152.28 40.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -59.89 -31.92 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.444 HG12 ' HG3' ' A' ' 101' ' ' GLU . 28.3 t -71.1 -32.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.06 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.541 HD13 ' CE1' ' A' ' 87' ' ' PHE . 13.1 mt -75.4 -30.3 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HE1' HG12 ' A' ' 123' ' ' VAL . 55.5 t80 -74.16 -39.14 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.444 ' HG3' HG12 ' A' ' 97' ' ' VAL . 6.3 mt-10 -72.37 -48.0 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -58.36 -31.45 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.09 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.78 ' CE2' HG21 ' A' ' 107' ' ' THR . 64.4 t80 -77.09 -29.62 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 100' ' ' TYR . 57.1 mt -72.36 -26.47 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -32.03 65.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.38 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.0 tpp -94.04 -24.2 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.517 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.783 HG22 HD23 ' A' ' 113' ' ' LEU . 71.0 p -93.76 19.09 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.433 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.0 m80 52.96 68.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.9 0.381 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 61.2 28.45 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.989 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.83 40.59 95.63 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.589 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -118.84 -33.43 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.659 0.266 . . . . 0.0 111.272 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -140.76 117.06 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.185 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.783 HD23 HG22 ' A' ' 107' ' ' THR . 1.9 tm? -90.87 86.43 6.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.613 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.673 HD12 ' HB1' ' A' ' 47' ' ' ALA . 36.0 mt 60.98 -80.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 113' ' ' LEU . 10.4 t30 -129.21 30.49 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.56 94.49 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.7 p -64.98 114.7 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.755 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.9 pp -131.94 159.86 37.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -69.9 167.42 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.008 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -104.62 -41.91 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.783 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -25.66 67.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 p -74.92 -34.56 62.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 18' ' ' PHE . 22.5 t -59.57 139.07 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -167.6 132.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.34 131.07 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.08 178.46 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.701 0.286 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -142.71 161.66 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 84' ' ' LEU . 21.1 m170 -128.79 117.53 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.433 ' O ' HD13 ' A' ' 84' ' ' LEU . 33.3 m-85 -108.82 108.29 19.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.767 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.7 t30 -54.27 110.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.309 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.784 HD13 ' SG ' ' A' ' 85' ' ' CYS . 19.1 tp -96.12 125.3 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.405 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -141.45 132.46 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 111.64 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.87 ' HB2' HG22 ' A' ' 123' ' ' VAL . 23.9 p90 -168.96 112.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 m -70.34 137.18 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.571 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 81' ' ' VAL . 17.5 mt -110.8 111.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.876 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 p -70.7 -25.21 62.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -70.08 -18.34 63.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 HG23 ' A' ' 40' ' ' THR . 0.4 OUTLIER -99.98 99.37 9.06 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 111.012 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.28 123.94 9.56 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.571 2.181 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.29 93.89 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.25 -175.4 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.85 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.82 -39.29 93.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.764 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.532 HD11 ' HG3' ' A' ' 36' ' ' LYS . 33.5 mm -67.31 -14.36 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.384 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.25 30.47 2.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -169.46 98.69 0.49 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.805 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.32 -25.76 10.5 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.53 2.153 . . . . 0.0 112.502 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -57.41 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -79.62 166.72 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -83.08 -29.25 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.532 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.8 tptm -57.67 -32.39 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -76.91 -41.8 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.57 -35.48 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -69.93 -49.74 48.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.653 HG23 HD21 ' A' ' 23' ' ' LEU . 62.5 m -67.53 -31.1 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -73.13 -33.38 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.51 -37.87 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.8 t -59.78 -52.31 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.59 -46.66 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.23 -31.22 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -72.47 -35.16 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.004 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -71.65 -37.78 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 mt -67.7 -37.04 81.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.75 -58.54 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.73 -31.33 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' A' ' 106' ' ' MET . 6.6 tt -60.17 -42.56 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 6.4 m-85 -68.57 -39.34 81.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -25.63 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -90.51 -28.05 18.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 p -63.09 173.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 t -75.12 -24.19 58.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.7 pt -94.24 47.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -89.91 22.98 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.42 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.65 -30.45 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.284 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 32.8 m-85 -104.78 -32.2 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.29 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.8 t80 -56.35 140.93 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.028 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.6 t -106.84 -71.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 173.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.5 132.63 55.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.84 103.55 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 66' ' ' VAL . 8.5 p -71.43 104.2 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.84 -66.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.18 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.36 114.39 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.08 144.44 42.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.822 0.344 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.6 m170 -84.39 170.94 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.874 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.4 m -158.73 114.67 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.08 114.03 4.37 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 20' ' ' ILE . 27.5 t -84.59 97.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.84 86.09 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.59 -175.89 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -138.06 111.83 8.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.784 ' SG ' HD13 ' A' ' 16' ' ' LEU . 3.9 m -70.18 70.71 0.39 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.33 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -70.73 151.24 45.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.249 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 99' ' ' ILE . 9.3 m-85 -125.53 179.09 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.13 165.74 13.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.784 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.67 -28.2 80.6 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.507 2.138 . . . . 0.0 112.139 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.85 -28.53 64.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . . . -58.85 154.29 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.02 151.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.4 29.69 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.447 HG11 ' CZ ' ' A' ' 87' ' ' PHE . 32.7 t -84.1 125.35 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.32 171.85 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -74.51 -46.32 40.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 101' ' ' GLU . 19.5 t -58.91 -27.44 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.314 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -62.67 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.318 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.758 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.7 mt -69.3 -24.63 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.852 ' CE2' HD11 ' A' ' 104' ' ' LEU . 51.8 t80 -74.07 -40.82 62.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.643 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.0 mt-10 -71.55 -52.47 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -28.93 60.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.64 -46.08 33.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.852 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.2 mt -57.57 -50.43 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -54.84 -53.2 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 4.6 tpp -64.2 -26.92 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.047 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.697 HG22 HD23 ' A' ' 113' ' ' LEU . 51.4 p -96.35 23.1 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.7 t60 54.11 69.85 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.7 m120 59.73 35.16 22.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.587 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 58.61 55.67 29.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.0 p -133.58 -45.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -132.11 114.87 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.8 tm? -90.46 96.05 10.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.004 HD12 ' HB1' ' A' ' 47' ' ' ALA . 81.1 mt 62.19 -79.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 2.2 m-80 -138.85 31.87 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.0 103.87 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -68.56 118.62 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.0 pp -129.29 159.76 35.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.655 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -66.26 163.31 18.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.064 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.66 -38.73 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.787 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -69.73 -18.58 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -83.41 -32.63 26.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.87 HG22 ' HB2' ' A' ' 18' ' ' PHE . 26.0 t -59.14 136.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -174.1 127.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 125' ' ' VAL . 12.4 p -114.64 111.61 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -114.4 163.18 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.773 0.321 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.93 157.9 41.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.857 ' HB3' HD11 ' A' ' 84' ' ' LEU . 40.2 m-70 -142.38 158.61 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.539 ' HB3' HG22 ' A' ' 125' ' ' VAL . 78.3 m-85 -145.8 118.92 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 118.17 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.425 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.826 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.0 tp -97.55 121.94 40.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -139.65 138.03 35.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.993 0.425 . . . . 0.0 111.361 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.874 ' HB2' HG22 ' A' ' 123' ' ' VAL . 15.6 p90 -177.83 113.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.62 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.2 m -69.2 135.43 50.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.191 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.539 HD11 HG21 ' A' ' 81' ' ' VAL . 27.9 mt -104.09 98.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.429 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 11.0 p -53.77 -26.54 24.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.11 49.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.975 0.417 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -163.82 91.04 1.11 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.728 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.18 147.58 88.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.529 2.153 . . . . 0.0 112.384 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -87.57 130.73 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.63 161.92 34.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.23 68.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -44.35 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 36' ' ' LYS . 33.8 mm -66.8 -16.79 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.432 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.26 -19.88 42.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.411 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.14 107.17 58.64 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.435 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 14.7 Cg_exo -67.7 64.46 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.659 2.239 . . . . 0.0 112.131 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -162.34 -37.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.4 p -55.66 -177.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 39' ' ' GLN . 4.5 m -82.95 -43.36 16.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.538 ' HG3' HD11 ' A' ' 29' ' ' ILE . 13.1 tptm -56.62 -38.92 72.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.435 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 22.8 t80 -66.53 -58.7 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -60.52 -34.12 73.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.485 ' HG3' HG22 ' A' ' 35' ' ' THR . 14.9 mt-30 -73.31 -57.34 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -62.08 -31.63 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HE2' HG13 ' A' ' 66' ' ' VAL . 42.2 tttt -70.33 -55.63 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -31.31 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -59.7 -48.1 82.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.38 -41.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -31.54 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -67.87 -43.92 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.107 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.32 -30.46 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 78.9 mt -72.12 -41.22 67.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.13 -35.19 74.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -78.2 -29.72 48.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 103' ' ' PHE . 7.0 tt -66.31 -36.95 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.5 m-85 -70.47 -45.7 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -26.79 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -96.41 -27.33 14.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.7 p -57.43 155.77 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 0.0 111.018 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -28.42 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.425 HG23 ' OE2' ' A' ' 102' ' ' GLU . 20.9 pt -93.6 46.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -88.11 52.66 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -142.88 -47.43 0.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.691 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 86.0 m-85 -94.94 -30.55 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.5 t80 -64.91 123.5 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.35 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.79 179.82 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.85 175.83 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -144.85 99.11 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.8 p -70.47 96.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.61 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.09 -168.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -125.12 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -94.89 154.26 17.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.698 0.285 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 13.4 m170 -126.46 -173.79 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.5 m -163.62 121.25 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.8 111.09 3.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.413 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 20' ' ' ILE . 40.5 t -73.62 130.38 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 111.21 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.23 76.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.605 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.595 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -101.35 -177.88 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.081 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 13' ' ' HIS . 3.0 tm? -140.19 112.33 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.826 ' SG ' HD13 ' A' ' 16' ' ' LEU . 67.8 m -69.47 81.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.723 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.452 ' CG ' HD12 ' A' ' 84' ' ' LEU . 29.5 m-20 -74.66 142.9 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.443 ' CE1' HD11 ' A' ' 99' ' ' ILE . 7.7 m-85 -126.96 160.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 166.53 38.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -27.17 42.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.149 . . . . 0.0 112.412 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.0 -31.19 71.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -59.09 161.18 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.64 -42.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.59 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.34 153.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.19 156.71 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -59.7 -44.26 93.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.17 -29.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 -58.92 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.757 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.6 mt -63.5 -28.37 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' HD11 ' A' ' 104' ' ' LEU . 73.9 t80 -71.26 -45.69 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.22 -50.57 53.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE2' HG23 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.46 -29.62 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 107' ' ' THR . 81.3 t80 -83.29 -32.43 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.694 HD11 ' CE2' ' A' ' 100' ' ' TYR . 14.2 mt -69.34 -46.11 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.47 -34.94 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpp -83.01 -24.74 32.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.862 HG22 HD23 ' A' ' 113' ' ' LEU . 77.9 p -95.12 29.24 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.175 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 53.26 61.08 3.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 61.64 26.95 16.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.09 37.57 49.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.1 p -116.98 -34.67 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.07 125.37 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.862 HD23 HG22 ' A' ' 107' ' ' THR . 2.5 tm? -97.79 98.98 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.107 HD12 ' HB1' ' A' ' 47' ' ' ALA . 29.4 mt 61.58 -80.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.958 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -135.46 43.46 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -154.31 105.79 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.0 p -71.01 113.28 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.737 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.5 pp -123.01 160.24 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.732 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.3 t70 -58.65 175.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -109.67 -64.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -56.41 -24.7 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.6 t -66.1 -40.96 91.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.874 HG22 ' HB2' ' A' ' 18' ' ' PHE . 30.6 t -60.92 135.88 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -174.0 136.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -128.5 137.81 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -179.04 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.7 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.39 142.43 34.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 10.4 m170 -121.12 111.28 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 127' ' ' SER . 35.2 m-85 -104.95 126.76 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.614 ' HA ' HD22 ' A' ' 84' ' ' LEU . 9.5 m120 -68.61 111.36 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.83 HD13 ' SG ' ' A' ' 85' ' ' CYS . 27.8 tp -91.27 135.86 33.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.684 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -154.11 128.32 9.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.916 0.388 . . . . 0.0 111.339 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.3 p90 -165.97 113.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.36 134.53 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.182 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.747 HD11 HG21 ' A' ' 81' ' ' VAL . 16.1 mt -105.97 102.74 14.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' CD2' ' A' ' 78' ' ' HIS . 7.9 p -57.93 -30.04 65.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -71.18 -50.16 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 HG21 ' A' ' 40' ' ' THR . 0.4 OUTLIER -73.12 112.45 15.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.2 -178.97 4.8 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.278 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.674 ' HD2' HG23 ' A' ' 79' ' ' THR . 1.5 t80 -137.36 115.1 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -121.68 -175.78 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -60.63 -31.94 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.495 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.2 m-20 -61.6 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.445 HD11 ' HG3' ' A' ' 36' ' ' LYS . 34.1 mm -61.45 -16.33 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.53 -24.7 25.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.646 0.26 . . . . 0.0 111.325 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -113.8 115.66 46.01 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 39.7 Cg_exo -60.54 -19.16 58.32 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 112.643 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -67.3 -32.06 72.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.357 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' ' 28' ' ' ASP . 49.8 p -69.56 167.17 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.09 -33.75 26.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -56.31 -30.24 62.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 36.1 t80 -76.34 -56.52 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -60.2 -31.27 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.37 -60.65 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.623 HG21 HD11 ' A' ' 23' ' ' LEU . 8.5 m -59.54 -30.4 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 59.9 tttt -69.9 -40.98 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -81.32 -29.92 34.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -50.32 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.85 -42.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -30.88 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.17 -42.13 60.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.05 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -64.27 -49.89 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 84.6 mt -60.04 -29.98 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.008 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.4 -61.49 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.82 -29.92 65.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.577 HD12 HD21 ' A' ' 113' ' ' LEU . 4.8 tt -61.76 -37.92 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 7.9 m-85 -67.85 -39.73 83.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.99 -12.26 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -104.31 -29.71 10.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.79 0.329 . . . . 0.0 111.003 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -59.0 153.54 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.1 t -58.65 -26.72 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.31 47.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 26.97 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -122.16 24.09 9.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 110.766 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 33.5 m-85 -162.28 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -52.77 114.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.059 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.61 -64.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.54 -176.01 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 45.2 t -124.33 156.49 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -128.09 105.12 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 66' ' ' VAL . 10.7 p -74.61 112.11 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 mt -71.4 -67.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -163.98 -173.91 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.15 125.74 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 112.6 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 14.8 t . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.778 0.323 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.538 ' CD2' HG22 ' A' ' 21' ' ' THR . 3.5 m170 -86.27 166.13 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 25' ' ' TYR . 91.4 m -163.97 115.37 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.2 110.01 2.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.324 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 20' ' ' ILE . 46.9 t -86.49 102.78 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 111.328 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -87.21 87.83 7.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.366 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.545 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.78 -174.97 2.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.259 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.614 HD22 ' HA ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -141.24 108.08 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.83 ' SG ' HD13 ' A' ' 16' ' ' LEU . 51.0 m -70.32 91.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 48.3 m-20 -89.13 144.6 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 111.376 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 14.9 m-85 -129.56 172.13 11.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.51 166.55 35.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 -28.16 18.73 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.534 2.156 . . . . 0.0 112.271 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.23 -31.21 68.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -78.85 136.98 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.87 32.23 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.86 44.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 22.0 t -108.63 103.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.25 158.34 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.429 ' HB2' HG13 ' A' ' 125' ' ' VAL . 12.8 ptt85 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.419 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -68.54 -29.82 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.6 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.767 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.9 mt -65.99 -25.87 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.406 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 48.6 t80 -72.79 -43.76 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG3' HG12 ' A' ' 97' ' ' VAL . 4.6 mt-10 -74.23 -35.18 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -53.08 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 107' ' ' THR . 54.0 t80 -58.76 -28.45 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 120' ' ' ARG . 68.7 mt -85.66 -22.23 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.276 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -30.75 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.194 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.431 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.3 ttp -89.52 -20.1 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.38 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.653 HG22 HD23 ' A' ' 113' ' ' LEU . 67.7 p -95.64 31.42 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.301 . . . . 0.0 111.167 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 111' ' ' THR . 0.3 OUTLIER 53.79 53.78 10.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.62 38.32 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.09 38.06 94.9 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.412 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 108' ' ' HIS . 81.1 p -109.02 -42.4 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.702 0.287 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 52.4 tt0 -147.14 118.55 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.8 tm? -91.35 99.34 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.442 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.05 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.4 mt 62.28 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.99 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 113' ' ' LEU . 47.5 m-80 -138.91 38.83 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -150.17 119.26 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 75.1 p -80.05 119.23 22.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.701 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.8 pp -135.51 160.09 39.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.5 OUTLIER -75.7 144.26 41.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.677 ' HG3' HD22 ' A' ' 104' ' ' LEU . 4.3 ttt180 -88.94 -41.85 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -32.18 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.6 p -71.48 -26.73 62.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' A' ' 18' ' ' PHE . 19.2 t -59.17 150.54 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.089 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -174.12 141.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 125' ' ' VAL . 14.7 p -138.72 122.58 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.236 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.44 162.55 14.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.2 t . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.824 0.345 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.65 157.44 44.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.654 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.4 m-70 -137.94 112.54 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.761 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' O ' HD13 ' A' ' 84' ' ' LEU . 27.9 m-85 -106.34 117.36 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.724 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.3 m120 -59.0 108.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.577 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.772 HD13 ' SG ' ' A' ' 85' ' ' CYS . 17.3 tp -87.62 129.9 34.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -148.4 141.05 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.0 111.52 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.834 ' HB2' HG22 ' A' ' 123' ' ' VAL . 34.5 p90 -178.81 113.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -69.93 131.11 43.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 mt -94.07 101.69 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 70.7 p -55.35 -27.78 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.34 58.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -162.29 89.35 1.39 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.92 157.57 10.29 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.476 2.117 . . . . 0.0 112.307 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -116.01 82.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 p -92.64 174.56 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -60.0 -28.95 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.784 ' HA ' HG21 ' A' ' 34' ' ' THR . 88.0 m-20 -58.21 -50.07 74.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.06 -29.12 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -24.43 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -130.12 117.58 18.1 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.64 -21.8 33.16 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.416 2.078 . . . . 0.0 112.433 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 t -51.84 -29.54 19.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.784 HG21 ' HA ' ' A' ' 28' ' ' ASP . 42.3 p -82.19 165.26 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -81.52 -29.18 33.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -56.74 -28.25 60.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -84.71 -46.25 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.13 -30.88 71.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -55.5 7.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.692 HG22 HD11 ' A' ' 44' ' ' ILE . 26.0 m -59.08 -38.63 79.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.82 -51.26 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.46 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.433 ' HG ' ' HE1' ' A' ' 116' ' ' PHE . 13.3 t -59.55 -48.5 81.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.692 HD11 HG22 ' A' ' 40' ' ' THR . 14.5 mt -70.6 -51.7 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.25 -32.56 66.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.22 -38.55 56.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.934 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.74 -36.09 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 63.3 mt -72.55 -31.07 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -59.05 -61.88 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -58.53 -30.15 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.445 ' O ' HD23 ' A' ' 51' ' ' LEU . 6.7 tt -65.55 -30.88 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 m-85 -72.61 -39.3 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -73.32 -19.14 61.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -107.23 34.66 3.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.82 169.16 15.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 pt -98.57 49.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -93.52 38.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 t -135.9 -46.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.484 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 33.5 m-85 -85.53 -31.01 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -64.68 123.61 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 t -88.81 -63.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.45 -177.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.46 156.28 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -135.67 93.17 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.8 p -65.69 103.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.49 -66.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.97 -174.26 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.511 ' HB3' HG23 ' A' ' 79' ' ' THR . 59.5 m-85 -112.32 116.51 30.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -77.75 144.49 37.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 . . . . . 0 CA--C 1.528 0.129 0 CA-C-O 120.664 0.268 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 67.1 m170 -122.4 -178.12 3.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 69' ' ' PHE . 68.0 m -162.25 103.88 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.71 98.18 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.49 132.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.394 . . . . 0.0 111.051 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.41 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.433 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.426 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -105.48 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.03 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.724 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -134.48 114.01 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.849 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.772 ' SG ' HD13 ' A' ' 16' ' ' LEU . 7.8 m -65.27 81.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.393 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 17.5 m-20 -70.83 128.14 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CE1' HD11 ' A' ' 99' ' ' ILE . 5.8 m-85 -116.77 150.26 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.21 165.67 45.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.29 -33.71 89.09 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.466 2.111 . . . . 0.0 112.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.7 -27.24 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.31 158.41 5.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -176.66 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 55.64 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.528 HG21 ' CE2' ' A' ' 87' ' ' PHE . 5.3 t -139.11 135.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.41 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 m-20 -119.41 -62.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.015 0.436 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 179.93 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.82 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.566 HG12 ' HG3' ' A' ' 101' ' ' GLU . 26.7 t -61.4 -26.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -62.99 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.621 HD11 ' CE1' ' A' ' 87' ' ' PHE . 11.0 mt -64.71 -23.9 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.651 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 50.3 t80 -76.92 -45.32 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' HG12 ' A' ' 97' ' ' VAL . 2.3 mt-10 -73.49 -44.96 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.44 -37.51 75.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.77 ' CZ ' HG21 ' A' ' 107' ' ' THR . 75.5 t80 -73.53 -46.13 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.78 HD23 ' HA3' ' A' ' 110' ' ' GLY . 9.9 mt -60.01 -34.36 73.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -71.18 -29.7 65.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.6 tpp -91.18 -25.53 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.261 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 p -95.25 20.79 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.255 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.79 77.86 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.13 27.01 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.78 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 59.12 50.11 71.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.4 p -125.16 -38.84 2.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.157 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.712 ' HG3' HG22 ' A' ' 117' ' ' THR . 5.1 tt0 -129.62 104.27 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.2 tm? -82.51 94.61 7.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.934 HD12 ' HB1' ' A' ' 47' ' ' ALA . 24.5 mt 62.01 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 6.9 m120 -120.29 -38.51 2.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.433 ' HE1' ' HG ' ' A' ' 43' ' ' SER . 39.8 m-85 -76.74 127.28 32.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.712 HG22 ' HG3' ' A' ' 112' ' ' GLN . 81.9 p -90.98 118.32 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.734 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.77 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -128.1 160.44 31.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.183 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 118' ' ' LEU . 5.2 t0 -64.79 178.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -41.98 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.3 70.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.9 t -75.87 -30.95 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.834 HG22 ' HB2' ' A' ' 18' ' ' PHE . 28.3 t -64.34 132.28 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 125' ' ' VAL . 49.0 t80 -174.02 163.3 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -150.25 129.5 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -119.37 178.51 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.4 m . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.8 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.825 0.345 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.572 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -152.11 135.66 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.404 ' HB3' HD11 ' A' ' 84' ' ' LEU . 27.8 m170 -126.61 114.39 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 43.9 m-85 -110.35 122.16 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.718 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.2 t-20 -63.12 122.57 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.792 HD13 ' SG ' ' A' ' 85' ' ' CYS . 22.9 tp -106.13 113.38 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -135.9 144.6 45.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.017 0.437 . . . . 0.0 111.346 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.775 ' CD2' HD22 ' A' ' 118' ' ' LEU . 24.6 p90 -178.38 121.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.6 m -74.24 135.77 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 22' ' ' ASN . 18.2 mt -101.84 142.44 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 78' ' ' HIS . 44.3 p -108.05 23.03 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.77 ' H ' HG22 ' A' ' 20' ' ' ILE . 1.3 t30 -119.47 -30.65 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.15 105.75 15.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.17 114.01 3.86 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.412 2.075 . . . . 0.0 112.311 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 24.6 t80 -62.06 123.14 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.44 178.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.67 -30.95 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.64 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.0 OUTLIER -62.17 -48.33 80.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' A' ' 36' ' ' LYS . 31.7 mm -69.83 -12.78 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.06 -17.59 34.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.639 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 mt-30 -126.66 117.61 22.7 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 14.3 Cg_exo -68.12 62.55 1.02 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.589 2.192 . . . . 0.0 112.131 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -148.31 -40.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.64 HG21 ' HA ' ' A' ' 28' ' ' ASP . 78.3 p -61.17 177.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.6 m -83.06 -38.52 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -58.55 -38.85 78.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 33.2 t80 -59.82 -48.83 80.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -73.5 -35.77 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -57.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.435 HG22 ' CZ ' ' A' ' 69' ' ' PHE . 62.6 m -62.2 -40.88 97.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HG2' HG11 ' A' ' 66' ' ' VAL . 63.7 tttt -58.86 -37.28 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.17 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -47.02 87.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mt -71.08 -44.89 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.35 -32.2 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -76.05 -40.76 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.0 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -68.39 -38.98 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 88.1 mt -71.59 -31.85 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -58.46 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.61 -31.47 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' ' HE3' ' A' ' 106' ' ' MET . 3.9 tt -60.8 -35.5 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 10.3 m-85 -72.69 -36.88 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -29.06 63.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -92.42 -25.32 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.488 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 71.3 p -56.16 170.33 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 m -74.68 -29.65 61.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.411 HD12 ' CZ ' ' A' ' 87' ' ' PHE . 20.0 pt -93.81 45.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -89.46 51.27 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.46 -45.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.508 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 36.8 m-85 -111.05 24.04 13.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 52' ' ' PHE . 3.1 t80 -105.75 123.97 48.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 -74.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -169.75 -176.04 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.37 -179.05 3.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.94 88.04 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.71 HG11 ' HG2' ' A' ' 41' ' ' LYS . 8.3 p -64.64 104.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.07 -63.84 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -166.34 -172.65 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.435 ' CZ ' HG22 ' A' ' 40' ' ' THR . 80.6 m-85 -116.48 130.81 56.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.42 119.26 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 40.0 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.819 0.342 . . . . 0.0 110.729 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.456 ' CD2' HG22 ' A' ' 21' ' ' THR . 24.1 m170 -63.8 172.19 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.0 m -146.12 128.49 15.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.23 119.94 5.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 20' ' ' ILE . 47.9 t -94.61 126.58 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 111.172 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 84.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 p -106.44 -177.68 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -135.76 119.16 16.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.792 ' SG ' HD13 ' A' ' 16' ' ' LEU . 1.7 m -84.9 79.14 9.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.439 ' CG ' HD12 ' A' ' 84' ' ' LEU . 59.5 m-80 -72.18 155.75 39.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.411 ' CZ ' HD12 ' A' ' 57' ' ' ILE . 12.4 m-85 -136.28 168.55 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 154.94 88.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.32 -28.04 15.59 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.62 2.213 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.36 -45.57 93.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.572 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -59.57 -179.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -177.6 -37.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.48 49.04 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 46.5 t -106.75 102.57 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.745 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -75.56 154.8 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.9 ptp180 -61.45 -41.36 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.761 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.7 t -57.24 -26.51 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.259 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.52 -54.72 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.208 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.735 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.5 mt -67.38 -21.8 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.664 ' HB2' HG12 ' A' ' 125' ' ' VAL . 52.3 t80 -81.86 -44.13 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.761 ' HG3' HG12 ' A' ' 97' ' ' VAL . 5.0 mt-10 -66.66 -50.73 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.33 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -63.72 -38.26 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.251 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 107' ' ' THR . 85.2 t80 -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 100' ' ' TYR . 16.5 mt -75.31 -30.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -28.75 66.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -92.51 -23.34 19.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.614 HG22 HD23 ' A' ' 113' ' ' LEU . 69.5 p -95.77 23.65 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 52.47 65.23 1.57 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 46.3 t30 61.85 30.38 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 56.62 14.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.8 p -128.67 -44.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -132.39 116.28 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.3 tm? -94.24 91.65 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.704 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.0 HD12 ' HB1' ' A' ' 47' ' ' ALA . 36.8 mt 61.05 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -133.33 37.69 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -153.47 111.02 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.1 p -75.15 120.81 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.775 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.5 159.08 42.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.634 ' O ' HD12 ' A' ' 118' ' ' LEU . 1.5 t0 -70.36 162.23 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -94.3 -45.25 7.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -58.14 -34.25 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.7 p -69.14 -30.49 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 119' ' ' ASP . 27.6 t -67.09 134.85 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -173.68 153.8 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.664 HG12 ' HB2' ' A' ' 100' ' ' TYR . 14.2 p -140.77 118.0 8.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.98 165.81 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.9 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.85 0.357 . . . . 0.0 110.947 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -135.07 153.49 52.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.671 ' HB3' HD11 ' A' ' 84' ' ' LEU . 12.8 m-70 -124.58 106.03 9.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.736 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -95.29 107.79 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.2 t-20 -54.26 112.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' SG ' ' A' ' 85' ' ' CYS . 14.2 tp -98.69 127.46 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -146.85 137.53 23.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.756 ' CD2' HD22 ' A' ' 118' ' ' LEU . 16.6 p90 -169.59 126.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.8 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -71.15 130.51 41.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.503 HD11 HG21 ' A' ' 81' ' ' VAL . 54.2 mt -107.77 102.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.429 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 31.1 p -60.86 -24.13 65.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -88.37 53.65 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -172.59 96.05 0.37 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.87 129.13 17.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.424 2.083 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD1' HG23 ' A' ' 79' ' ' THR . 4.9 t80 -80.17 117.95 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.14 176.74 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.629 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.5 m-20 -60.76 -49.93 75.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.618 HD11 ' HG2' ' A' ' 36' ' ' LYS . 40.1 mm -64.81 -21.87 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.17 31.07 2.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.91 100.21 0.93 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 76.8 Cg_exo -50.34 -25.06 12.96 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.46 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -56.67 -29.03 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.629 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.2 p -83.95 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -83.06 -30.22 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.618 ' HG2' HD11 ' A' ' 29' ' ' ILE . 40.0 tttt -56.72 -28.47 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 88.4 t80 -67.57 -53.53 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.49 -30.66 66.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.0 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -65.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -59.74 -30.64 68.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.652 ' CG ' HG11 ' A' ' 66' ' ' VAL . 17.1 ttmm -64.11 -59.68 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.14 -31.26 70.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.049 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.703 HG22 HD12 ' A' ' 48' ' ' LEU . 10.0 mt -74.06 -48.51 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.456 ' OE2' HG12 ' A' ' 66' ' ' VAL . 1.8 mt-10 -58.16 -40.3 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.11 -47.75 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.008 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.29 -38.91 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.703 HD12 HG22 ' A' ' 44' ' ' ILE . 25.5 mt -70.88 -30.8 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -59.41 -27.73 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.05 -53.2 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 8.8 m-85 -59.68 -42.74 93.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -66.97 -15.41 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.351 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -105.41 -28.93 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.509 ' N ' ' HE1' ' A' ' 106' ' ' MET . 51.7 p -58.01 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -96.6 28.52 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.8 pt -151.96 49.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.09 34.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.94 -39.59 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.782 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 7.4 m-85 -104.03 -33.15 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 1.1 t80 -60.03 131.36 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -100.37 -60.64 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -177.28 -177.13 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.59 150.78 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.784 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.3 100.77 7.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.652 HG11 ' CG ' ' A' ' 41' ' ' LYS . 9.8 p -69.7 116.13 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.89 -65.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.07 -170.79 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.97 134.76 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -102.54 161.29 13.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 -179.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.607 0.241 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 40.4 m170 -120.34 -174.71 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.566 HG23 ' CD1' ' A' ' 25' ' ' TYR . 6.6 m -156.55 115.16 3.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.94 105.73 1.75 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.503 HG21 HD11 ' A' ' 20' ' ' ILE . 44.7 t -72.98 134.48 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 111.205 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.68 75.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.078 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.728 HD12 ' ND2' ' A' ' 86' ' ' ASN . 2.2 tm? -139.68 115.94 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.862 ' SG ' HD13 ' A' ' 16' ' ' LEU . 17.9 m -75.04 77.88 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.526 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.728 ' ND2' HD12 ' A' ' 84' ' ' LEU . 9.4 m-80 -69.68 145.48 52.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.3 m-85 -132.71 -179.92 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.857 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 m -91.85 158.83 39.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.83 -26.59 27.07 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.531 2.154 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.77 -36.38 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.782 ' HB2' ' CG ' ' A' ' 60' ' ' TYR . . . -76.32 177.99 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -178.61 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.05 50.19 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.413 HG11 ' CE2' ' A' ' 87' ' ' PHE . 31.8 t -106.23 95.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -60.47 166.02 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.995 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -74.9 -39.3 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.6 t -62.03 -25.77 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -63.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.783 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.9 mt -67.66 -26.72 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.495 ' CE2' HD11 ' A' ' 104' ' ' LEU . 73.8 t80 -69.53 -42.97 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -79.27 -44.49 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.4 -33.09 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -75.6 -44.73 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.506 HD23 ' HA3' ' A' ' 110' ' ' GLY . 19.7 mt -59.01 -41.48 87.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -58.91 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.509 ' HE1' ' N ' ' A' ' 55' ' ' SER . 3.3 tpp -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.501 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.794 HG22 HD23 ' A' ' 113' ' ' LEU . 62.9 p -95.99 27.34 3.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 54.74 60.49 3.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.87 28.37 12.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.506 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 69.33 35.7 77.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.784 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.8 p -120.22 -15.36 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -158.15 114.16 2.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.794 HD23 HG22 ' A' ' 107' ' ' THR . 1.5 tm? -97.46 90.76 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.008 HD12 ' HB1' ' A' ' 47' ' ' ALA . 82.5 mt 59.71 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 m120 -133.67 37.96 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -151.04 94.55 2.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.13 127.75 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.756 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -143.17 159.46 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.64 ' O ' HD12 ' A' ' 118' ' ' LEU . 11.4 t0 -70.41 160.88 31.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.16 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.43 ' HG3' HD22 ' A' ' 104' ' ' LEU . 7.9 ttt180 -95.08 -53.73 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -31.06 70.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.4 p -60.08 -31.25 69.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.82 146.69 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -169.96 125.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.95 126.21 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.44 177.11 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.0 p . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.866 0.365 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -112.27 163.64 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.683 ' CB ' HD11 ' A' ' 84' ' ' LEU . 44.7 m170 -137.19 95.58 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -85.17 113.2 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -53.26 119.48 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.817 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.6 tp -98.2 133.55 42.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.48 137.52 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.688 ' HB2' HG22 ' A' ' 123' ' ' VAL . 8.5 p90 -177.39 123.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.774 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 79' ' ' THR . 27.0 m -74.95 131.99 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 81' ' ' VAL . 50.7 mt -100.45 97.71 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 32.2 p -53.87 -26.14 23.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -87.8 52.41 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.613 ' HG ' HG21 ' A' ' 40' ' ' THR . 0.4 OUTLIER -174.45 88.32 0.33 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.701 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.28 126.81 17.77 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.486 2.124 . . . . 0.0 112.347 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -63.5 97.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -104.67 168.98 8.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.51 -28.27 65.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HA ' HG21 ' A' ' 34' ' ' THR . 10.9 m-20 -68.17 -45.58 73.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.504 HD11 ' HG2' ' A' ' 36' ' ' LYS . 34.1 mm -68.18 -28.12 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.92 -9.6 58.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.497 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -124.67 109.49 28.28 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 15.8 Cg_exo -67.58 61.85 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.646 2.23 . . . . 0.0 112.366 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -170.7 34.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 28' ' ' ASP . 29.9 p -128.64 -175.52 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -83.1 -52.37 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.098 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' HD11 ' A' ' 29' ' ' ILE . 15.7 tttt -57.32 -28.86 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' CZ ' ' HE3' ' A' ' 41' ' ' LYS . 66.2 t80 -77.38 -49.42 14.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -69.79 -30.72 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.05 -41.24 62.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.613 HG21 ' HG ' ' A' ' 23' ' ' LEU . 74.0 m -72.44 -47.15 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.993 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.734 ' CG ' HG11 ' A' ' 66' ' ' VAL . 5.1 ttmt -58.52 -48.44 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -40.89 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 48' ' ' LEU . 14.7 mt -70.23 -48.67 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -43.0 94.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -69.25 -49.16 58.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -63.47 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 44' ' ' ILE . 12.4 mt -72.61 -33.47 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -63.43 -39.19 93.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -55.15 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -49.04 -39.4 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 15.9 m-85 -59.55 -47.77 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 mtm105 -74.91 -7.28 53.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.11 -28.75 12.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.413 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 51.2 p -66.23 176.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.08 -22.92 38.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.452 HG23 ' OE2' ' A' ' 102' ' ' GLU . 37.8 pt -92.93 45.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 38.91 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.12 -45.33 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 44.8 m-85 -110.2 -27.23 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -55.51 127.76 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.11 -66.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -164.33 -177.1 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.447 ' HG ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -113.82 164.83 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -132.22 97.22 4.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.734 HG11 ' CG ' ' A' ' 41' ' ' LYS . 9.8 p -68.21 110.16 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.71 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.28 -179.49 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -107.84 176.28 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -147.57 155.11 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.971 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.62 0.247 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.43 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 19.6 m170 -127.95 -179.79 5.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.8 0.333 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.428 ' C ' HG23 ' A' ' 19' ' ' THR . 60.5 m -159.46 126.49 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.72 134.1 12.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 20' ' ' ILE . 41.3 t -102.28 138.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.55 76.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.89 -177.86 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 13' ' ' HIS . 3.2 tm? -135.86 119.44 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.984 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.817 ' SG ' HD13 ' A' ' 16' ' ' LEU . 86.7 m -73.4 83.11 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.518 ' ND2' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -70.25 139.7 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.31 -179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CE1' HD11 ' A' ' 99' ' ' ILE . 6.3 m-85 -130.47 -176.88 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.908 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.64 166.07 17.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 90' ' ' LEU . 57.5 Cg_endo -71.13 -33.68 11.25 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.555 2.17 . . . . 0.0 112.383 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 5.5 mp -59.73 -31.21 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 60' ' ' TYR . . . -60.02 165.73 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -178.7 -38.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -94.05 46.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.85 121.98 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.6 160.4 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.1 OUTLIER -62.94 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.487 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -65.93 -28.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.663 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.0 mt -64.14 -19.53 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.715 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 63.8 t80 -82.16 -46.07 14.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.487 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.5 mt-10 -72.31 -29.14 63.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.261 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.452 ' OE2' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -83.65 -30.36 26.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.074 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -76.47 -28.84 56.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.819 HD22 ' HG2' ' A' ' 120' ' ' ARG . 11.6 mt -84.37 -38.54 20.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -61.68 -51.65 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -63.18 -25.16 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.433 HG22 HD23 ' A' ' 113' ' ' LEU . 54.7 p -97.02 29.28 3.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.046 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.31 59.47 4.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.08 0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 62.17 37.42 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.69 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.92 70.2 1.08 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.332 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.9 p -141.58 -45.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 1.3 tt0 -129.0 98.87 5.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 111.353 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -85.8 85.99 7.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.964 HD12 ' HB1' ' A' ' 47' ' ' ALA . 81.5 mt 60.98 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -132.51 30.49 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -149.85 97.8 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 15.9 p -64.94 123.43 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.653 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -136.27 158.83 43.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.647 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.9 167.17 21.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.248 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.819 ' HG2' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -106.11 -49.28 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -57.33 -31.53 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.9 p -70.47 -30.53 67.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.688 HG22 ' HB2' ' A' ' 18' ' ' PHE . 39.8 t -60.41 143.32 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -171.19 133.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 15' ' ' ASN . 13.1 p -131.97 134.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.31 174.6 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.754 0.311 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.606 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -158.99 131.97 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -126.82 116.79 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HB3' HG22 ' A' ' 125' ' ' VAL . 60.2 m-85 -108.78 110.95 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.562 ' HA ' HD22 ' A' ' 84' ' ' LEU . 4.0 t30 -55.37 111.69 0.94 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.74 HD13 ' SG ' ' A' ' 85' ' ' CYS . 18.4 tp -88.24 136.22 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -153.31 140.18 19.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.976 0.417 . . . . 0.0 111.302 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.738 ' CD2' HD22 ' A' ' 118' ' ' LEU . 21.5 p90 -178.29 116.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.532 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -69.21 133.49 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.449 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 81' ' ' VAL . 23.5 mt -106.01 108.73 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 p -68.33 -30.5 69.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.223 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -79.35 -2.91 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.545 HD21 HG23 ' A' ' 40' ' ' THR . 0.3 OUTLIER -103.55 90.65 2.84 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.24 116.36 4.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.515 2.144 . . . . 0.0 112.257 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.484 ' HD2' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -80.03 128.45 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 m -135.95 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.706 ' HA ' HG21 ' A' ' 34' ' ' THR . 49.8 m-20 -64.23 -45.82 86.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.49 -13.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.391 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.57 -24.64 20.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.712 0.291 . . . . 0.0 111.192 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -122.52 118.57 28.62 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 40.4 Cg_exo -56.75 -20.9 37.25 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.514 2.143 . . . . 0.0 112.434 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 t -53.71 -29.11 37.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.706 HG21 ' HA ' ' A' ' 28' ' ' ASP . 47.2 p -84.14 165.46 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.991 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.454 HG22 ' HG3' ' A' ' 39' ' ' GLN . 12.3 m -83.14 -30.78 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.041 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -58.03 -28.14 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 27.3 t80 -75.08 -36.24 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -82.07 -38.39 24.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.6 mm-40 -70.37 -47.72 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.545 HG23 HD21 ' A' ' 23' ' ' LEU . 63.1 m -64.7 -46.25 83.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -58.66 -44.46 90.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -71.61 -30.66 66.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -62.13 -45.32 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.995 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.434 HD12 ' CE1' ' A' ' 69' ' ' PHE . 41.5 mt -70.25 -46.89 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -36.44 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.6 -45.47 58.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.085 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -61.02 -37.03 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 24.9 mt -71.08 -29.89 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.39 -59.48 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.494 ' OE1' HD13 ' A' ' 114' ' ' LEU . 9.2 pt20 -59.63 -31.16 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.98 -52.77 63.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 m-85 -61.16 -41.45 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -61.91 -29.3 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -94.85 -27.22 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' HE1' ' A' ' 106' ' ' MET . 88.4 p -57.26 155.24 9.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -59.04 -28.6 66.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.652 HG23 ' OE2' ' A' ' 102' ' ' GLU . 24.8 pt -93.88 46.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -90.29 46.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.8 t -140.52 -47.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.601 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.6 m-85 -91.52 -29.0 17.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.8 t80 -67.72 95.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -60.61 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.78 -171.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 52.6 t -128.92 154.14 46.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -132.96 121.89 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 66' ' ' VAL . 11.2 p -83.87 116.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.1 mt -75.05 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.11 171.67 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CE1' HD12 ' A' ' 44' ' ' ILE . 43.5 m-85 -104.97 132.31 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.09 109.48 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.843 0.354 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -72.13 173.42 8.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 25' ' ' TYR . 77.0 m -162.69 109.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 106.6 1.86 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.416 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 20' ' ' ILE . 61.9 t -70.62 141.59 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.193 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -130.02 76.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.541 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.53 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -101.76 -178.86 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.668 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 15' ' ' ASN . 1.3 tm? -137.22 118.11 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.74 ' SG ' HD13 ' A' ' 16' ' ' LEU . 3.9 m -73.62 82.08 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.362 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.81 124.28 22.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.098 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.735 ' CE2' HG11 ' A' ' 94' ' ' VAL . 5.0 m-85 -116.57 155.78 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.42 159.16 80.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.64 -14.84 43.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.589 2.193 . . . . 0.0 112.54 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 90' ' ' LEU . 6.3 mp -69.3 -34.61 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -58.14 178.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.088 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 178.94 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 32.19 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.295 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.735 HG11 ' CE2' ' A' ' 87' ' ' PHE . 15.1 t -87.47 140.01 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.65 155.43 45.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.705 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -58.64 -30.59 67.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.86 -30.19 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.5 -62.98 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.193 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.647 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.6 mt -63.98 -23.57 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.586 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 60.0 t80 -75.03 -44.39 48.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.84 -51.49 13.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.652 ' OE2' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.95 -28.56 64.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.693 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.688 ' O ' HG23 ' A' ' 107' ' ' THR . 56.5 t80 -77.06 -58.96 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.227 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.586 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 68.3 mt -56.19 -39.82 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -28.17 69.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.402 ' HE1' ' N ' ' A' ' 55' ' ' SER . 2.4 tpp -87.31 -25.97 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.332 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.845 HG22 HD23 ' A' ' 113' ' ' LEU . 7.3 p -93.84 43.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 54.64 52.13 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 62.32 48.25 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.43 ' HA3' HD22 ' A' ' 104' ' ' LEU . . . 58.86 40.81 95.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.719 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.6 p -124.3 -38.17 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.249 . . . . 0.0 111.35 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 50.5 tt0 -143.32 116.96 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.215 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.845 HD23 HG22 ' A' ' 107' ' ' THR . 1.5 tm? -94.61 92.19 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.085 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.7 mt 61.66 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 5.4 m120 -133.84 43.17 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 87.8 m-85 -158.47 114.25 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 15.4 p -77.68 118.05 19.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.738 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -135.22 159.75 40.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.28 144.69 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -47.28 19.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -58.94 -32.88 70.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 t -63.47 -33.86 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.714 HG22 ' HB2' ' A' ' 18' ' ' PHE . 18.2 t -59.67 150.19 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -174.02 131.9 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 96' ' ' ARG . 14.9 p -129.48 117.38 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.79 170.61 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.988 -179.863 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.805 0.336 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.82 146.23 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.71 ' HB3' HD11 ' A' ' 84' ' ' LEU . 31.9 m170 -128.05 109.31 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 96.7 m-85 -95.92 118.1 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.736 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 125' ' ' VAL . 0.4 OUTLIER -59.97 119.0 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.769 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.4 tp -98.35 128.32 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.56 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -146.31 135.27 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.425 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.807 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.0 p90 -171.27 115.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.444 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -77.65 132.7 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.643 HD11 HG21 ' A' ' 81' ' ' VAL . 19.0 mt -97.0 131.41 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.826 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.708 HG22 ' CE1' ' A' ' 78' ' ' HIS . 6.3 p -97.11 32.03 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' HG22 ' A' ' 20' ' ' ILE . 45.0 t30 -146.44 30.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -143.97 105.4 4.86 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.768 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.4 143.09 62.22 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.373 2.049 . . . . 0.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -102.88 122.31 44.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 p -128.47 177.15 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.862 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.0 OUTLIER -60.3 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 36' ' ' LYS . 39.2 mm -59.56 -28.42 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.83 -18.98 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.324 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.7 113.46 22.61 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.14 -23.64 23.2 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.516 2.144 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -55.46 -29.68 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.862 HG21 ' HA ' ' A' ' 28' ' ' ASP . 27.6 p -74.64 162.94 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -82.93 -29.77 28.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 29' ' ' ILE . 18.9 tttt -58.72 -29.83 66.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -80.66 -53.45 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -59.92 -31.3 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -65.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.659 HG22 HD11 ' A' ' 44' ' ' ILE . 4.6 m -61.23 -31.23 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.92 -31.12 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -83.49 -40.36 19.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -59.46 -43.2 93.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.659 HD11 HG22 ' A' ' 40' ' ' THR . 12.1 mt -69.92 -45.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.94 87.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.36 -37.77 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.728 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -68.72 -35.15 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 HD13 ' SG ' ' A' ' 64' ' ' CYS . 72.3 mt -72.4 -30.73 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -59.66 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.991 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.12 -30.25 67.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.473 ' O ' ' HE1' ' A' ' 106' ' ' MET . 6.5 tt -61.02 -36.42 79.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.4 m-85 -76.81 -41.46 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -26.54 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -88.64 -29.53 19.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.7 p -66.44 161.45 22.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.996 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -59.89 -26.39 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.0 pt -93.21 45.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -91.53 50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -141.7 -47.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -90.0 -36.7 14.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -59.54 115.35 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -61.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -175.38 -176.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.447 ' SG ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -113.04 150.19 32.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -120.83 93.7 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 66' ' ' VAL . 10.1 p -68.66 107.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.14 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.93 -171.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -113.94 119.17 36.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -78.34 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.808 0.337 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.708 ' CE1' HG22 ' A' ' 21' ' ' THR . 52.9 m170 -117.0 -179.91 3.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -163.88 120.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.52 108.45 2.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 HD11 ' A' ' 20' ' ' ILE . 36.6 t -77.98 93.12 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.215 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.73 86.84 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.669 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.636 ' OG ' HD23 ' A' ' 16' ' ' LEU . 2.0 p -108.95 -177.58 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.7 tm? -136.16 118.8 15.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.862 ' SG ' HD13 ' A' ' 16' ' ' LEU . 44.9 m -78.53 81.13 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.657 ' ND2' HD12 ' A' ' 84' ' ' LEU . 4.6 m-80 -70.11 142.3 52.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 94' ' ' VAL . 8.3 m-85 -131.41 -177.03 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.833 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.7 OUTLIER -109.12 151.77 42.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.972 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 88' ' ' SER . 23.1 Cg_exo -63.88 -20.79 68.78 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.607 2.204 . . . . 0.0 112.541 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.33 -27.08 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -59.48 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 62.28 24.13 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 30.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 91' ' ' ALA . 28.4 t -100.82 149.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.83 159.34 40.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . 0.426 ' HB2' HG13 ' A' ' 125' ' ' VAL . 6.3 ptt180 -62.23 -34.53 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.23 -30.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.86 -54.74 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.781 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.7 mt -65.94 -25.6 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.772 ' CE2' HD11 ' A' ' 104' ' ' LEU . 78.4 t80 -75.68 -44.22 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.41 -54.77 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -35.26 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.119 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' A' ' 107' ' ' THR . 58.0 t80 -65.21 -45.7 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.024 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -63.39 -37.26 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.08 -33.28 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.473 ' HE1' ' O ' ' A' ' 51' ' ' LEU . 2.2 tpp -87.69 -24.33 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.331 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 113' ' ' LEU . 22.3 p -95.73 25.05 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.238 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 52.01 78.83 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.189 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 55.78 29.21 13.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.588 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 59.88 66.09 2.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.407 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.4 p -146.34 -44.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.709 0.29 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 4.7 tt0 -122.52 99.76 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 111.217 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.769 ' HA ' HG22 ' A' ' 107' ' ' THR . 2.0 tm? -70.23 91.21 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.728 HD12 ' HB1' ' A' ' 47' ' ' ALA . 29.2 mt 62.18 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -115.72 -35.47 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -76.88 159.17 30.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 71.0 p -117.34 114.22 23.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.807 HD22 ' CD2' ' A' ' 18' ' ' PHE . 2.6 pp -127.79 161.89 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.166 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.77 172.45 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -105.79 -50.23 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -52.52 -28.29 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.3 t -77.74 -28.88 50.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.15 135.71 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 20.7 t80 -174.04 148.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 15' ' ' ASN . 14.4 p -145.25 138.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.77 -172.61 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.837 0.351 . . . . 0.0 110.813 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -145.5 133.89 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.549 ' HB3' HD11 ' A' ' 84' ' ' LEU . 32.7 m170 -114.73 119.05 35.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 84.4 m-85 -107.1 109.41 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.566 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 t30 -58.15 106.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.827 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.4 tp -89.02 125.86 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -144.14 141.01 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 111.466 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.802 ' HB2' HG22 ' A' ' 123' ' ' VAL . 21.7 p90 -178.17 112.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.478 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -67.63 133.72 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.243 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.576 HD11 HG21 ' A' ' 81' ' ' VAL . 22.3 mt -103.08 100.11 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 36.1 p -53.14 -28.69 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.243 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -94.44 44.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.649 HD21 HG23 ' A' ' 40' ' ' THR . 0.6 OUTLIER -151.93 91.83 3.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.62 144.35 54.45 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.481 2.121 . . . . 0.0 112.334 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -103.72 128.99 51.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.5 p -132.23 179.02 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.7 -30.38 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.546 ' HA ' HG21 ' A' ' 34' ' ' THR . 3.1 m-20 -65.8 -46.96 76.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.699 HD11 ' HG3' ' A' ' 36' ' ' LYS . 29.6 mm -66.42 -14.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.59 36.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.264 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 6.2 mt-30 -119.21 137.35 25.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 5.8 Cg_exo -73.99 -2.56 12.45 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.674 2.249 . . . . 0.0 112.745 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 t -94.27 32.63 1.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.638 0.256 . . . . 0.0 111.292 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.546 HG21 ' HA ' ' A' ' 28' ' ' ASP . 5.6 p -138.66 140.06 38.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m -57.56 -38.99 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.699 ' HG3' HD11 ' A' ' 29' ' ' ILE . 11.4 tptp -59.13 -29.21 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.6 t80 -73.74 -61.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.62 -30.64 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.31 -52.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.649 HG23 HD21 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -60.95 -44.65 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.97 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.647 ' CG ' HG11 ' A' ' 66' ' ' VAL . 14.0 ttmt -59.43 -56.3 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -58.81 -38.76 79.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -60.11 -50.83 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.458 HD12 ' CZ ' ' A' ' 69' ' ' PHE . 28.0 mt -71.31 -47.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -29.8 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.81 -45.19 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.846 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.27 -37.28 83.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 48' ' ' LEU . 15.7 mt -71.95 -30.96 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -57.73 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -63.25 -26.91 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 51' ' ' LEU . 4.0 tt -63.74 -30.4 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.1 m-85 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 -56.03 -23.45 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -88.14 -29.04 20.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.3 p -62.69 168.86 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 p -70.61 -26.96 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' HZ ' ' A' ' 87' ' ' PHE . 24.9 pt -94.16 46.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -89.53 52.35 2.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -137.59 -52.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.628 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 43.8 m-85 -88.21 -30.24 19.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 t80 -56.98 107.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -76.87 -60.76 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -177.2 176.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -111.77 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -96.25 101.17 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.647 HG11 ' CG ' ' A' ' 41' ' ' LYS . 10.4 p -73.08 107.88 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.11 -65.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.39 -176.1 2.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CZ ' HD12 ' A' ' 44' ' ' ILE . 58.1 m-85 -113.68 136.17 53.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -88.92 131.95 34.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.676 0.274 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 7.5 m170 -103.36 172.02 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -150.39 110.7 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 112.56 4.96 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.576 HG21 HD11 ' A' ' 20' ' ' ILE . 48.2 t -73.62 133.5 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.51 78.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.367 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.606 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.63 175.92 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.771 HD12 ' ND2' ' A' ' 86' ' ' ASN . 1.2 tm? -135.26 103.47 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.827 ' SG ' HD13 ' A' ' 16' ' ' LEU . 14.7 m -67.52 76.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 110.463 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.771 ' ND2' HD12 ' A' ' 84' ' ' LEU . 2.8 m-80 -69.23 146.03 52.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 13.5 m-85 -133.31 148.92 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -56.8 153.88 20.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.34 -31.2 94.56 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.557 2.171 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.0 -31.49 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -66.28 135.52 54.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.94 33.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -167.58 33.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 21.2 t -97.33 87.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.57 156.77 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.463 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -63.61 -29.65 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.65 -59.88 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.653 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.4 mt -69.84 -23.69 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.751 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.8 t80 -75.83 -41.57 52.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.463 ' HG3' HG12 ' A' ' 97' ' ' VAL . 5.1 mt-10 -74.95 -41.3 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.27 -37.71 78.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 107' ' ' THR . 35.0 t80 -71.58 -47.63 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.3 mt -60.06 -42.18 93.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -42.81 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 tpp -78.12 -28.71 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.21 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 113' ' ' LEU . 42.9 p -97.08 26.42 4.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.0 m170 51.59 78.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 52.04 26.32 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 66.57 70.43 1.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.421 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -139.61 -46.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.7 119.83 19.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.0 tm? -95.03 92.24 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.724 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.846 HD12 ' HB1' ' A' ' 47' ' ' ALA . 33.4 mt 61.03 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -131.76 29.52 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.773 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -141.02 109.33 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.2 p -75.82 115.98 16.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.004 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.774 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -128.91 160.41 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.504 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -85.72 159.94 19.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 120' ' ' ARG . 21.8 ttp-105 -90.5 -42.77 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -34.33 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.3 p -71.37 -29.76 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.802 HG22 ' HB2' ' A' ' 18' ' ' PHE . 38.9 t -63.5 145.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -171.59 127.27 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.818 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 125' ' ' VAL . 11.3 p -128.18 112.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.2 161.63 25.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.941 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.805 0.336 . . . . 0.0 110.788 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -120.77 152.19 38.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.511 ' HB3' HD11 ' A' ' 84' ' ' LEU . 43.8 m170 -117.12 133.45 55.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 16.6 m-85 -125.26 104.42 8.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.752 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.485 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.1 m120 -52.59 111.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.267 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.86 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.0 tp -99.06 115.27 28.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -130.6 140.2 50.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 111.249 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.827 ' CD2' HD22 ' A' ' 118' ' ' LEU . 15.7 p90 -178.25 127.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.57 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -84.84 138.61 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.392 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.734 HG22 ' H ' ' A' ' 22' ' ' ASN . 23.1 mt -106.97 130.18 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.877 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 p -96.17 20.79 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.734 ' H ' HG22 ' A' ' 20' ' ' ILE . 36.4 t30 -113.22 -31.26 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' HG21 ' A' ' 40' ' ' THR . 1.4 tm? -91.91 105.0 11.91 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.33 130.65 22.96 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.334 2.023 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.03 153.57 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -162.05 162.94 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -30.96 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.831 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.1 m-20 -69.6 -42.46 74.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HE3' ' A' ' 36' ' ' LYS . 42.0 mm -63.43 -17.09 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.76 28.33 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.99 109.53 0.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.98 -21.87 22.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.468 2.112 . . . . 0.0 112.504 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -56.27 -34.23 66.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.831 HG21 ' HA ' ' A' ' 28' ' ' ASP . 25.9 p -76.92 164.9 25.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.494 HG22 ' HG3' ' A' ' 39' ' ' GLN . 6.9 m -83.13 -29.46 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.704 ' HE3' HD11 ' A' ' 29' ' ' ILE . 5.0 tttp -58.23 -30.02 66.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 41' ' ' LYS . 61.8 t80 -71.97 -55.62 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.73 -38.59 88.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.494 ' HG3' HG22 ' A' ' 35' ' ' THR . 15.1 mt-30 -60.04 -57.54 12.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.555 HG21 ' HG ' ' A' ' 23' ' ' LEU . 90.3 m -64.64 -38.78 92.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.746 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.73 ' CG ' HG11 ' A' ' 66' ' ' VAL . 15.1 ttpt -60.33 -36.49 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -39.96 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -45.96 92.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -67.2 -40.92 86.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.59 -30.49 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.6 -47.11 28.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.049 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -61.76 -42.41 98.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 92.2 mt -68.22 -32.99 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.04 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.428 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -55.78 -64.54 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.04 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.35 -27.37 62.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.409 ' O ' ' HE3' ' A' ' 106' ' ' MET . 6.8 tt -58.85 -36.22 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.78 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 49' ' ' ASN . 1.5 m-85 -73.67 -47.09 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -26.16 36.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -104.33 -16.24 15.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.409 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 52.2 p -54.16 158.16 2.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.776 0.322 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -64.29 -25.39 68.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.9 pt -103.88 51.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -85.62 50.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.208 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -146.69 18.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.079 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.447 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 18.4 m-85 -162.65 -43.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.942 0.401 . . . . 0.0 110.711 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -52.98 121.05 6.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 t -89.64 -60.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -179.15 -178.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.68 168.23 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -134.65 98.31 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.73 HG11 ' CG ' ' A' ' 41' ' ' LYS . 8.0 p -66.51 102.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.32 -56.65 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.37 -173.77 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.35 167.36 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -128.22 141.71 51.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.632 0.253 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -134.02 179.06 6.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.746 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.7 m -159.81 123.88 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.28 150.49 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 20' ' ' ILE . 44.7 t -121.04 122.54 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 111.276 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.38 81.47 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.458 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.485 ' OG ' HD23 ' A' ' 16' ' ' LEU . 2.1 p -101.5 174.84 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.8 tm? -134.46 109.52 8.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.998 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.86 ' SG ' HD13 ' A' ' 16' ' ' LEU . 33.4 m -67.25 76.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.516 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.2 145.54 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 10.9 m-85 -130.19 144.07 51.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.799 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.01 155.32 64.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -55.92 -28.09 66.57 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.522 2.148 . . . . 0.0 112.272 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.7 mp -68.34 -27.23 66.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.1 148.31 22.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -167.9 150.9 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.65 35.58 11.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.7 t -103.16 123.02 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -98.62 172.46 7.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -72.36 -34.19 67.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 t -66.83 -29.08 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.15 -60.38 3.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.719 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.2 mt -63.34 -26.33 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 104' ' ' LEU . 84.7 t80 -72.54 -45.52 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.43 -54.27 30.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -28.94 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.277 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -75.33 -31.57 60.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.124 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.793 HD11 ' CE2' ' A' ' 100' ' ' TYR . 71.2 mt -79.6 -29.6 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.089 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -35.71 76.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.409 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 3.0 tpp -84.67 -23.58 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.298 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.574 HG22 HD23 ' A' ' 113' ' ' LEU . 38.2 p -95.25 22.64 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.304 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 51.92 81.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 53.59 27.08 6.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.51 77.04 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.0 p -156.82 -43.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.441 ' HG3' HG22 ' A' ' 117' ' ' THR . 21.9 tt0 -125.12 100.07 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.199 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -76.39 89.58 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.435 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.049 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.7 mt 62.2 -80.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.85 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.66 -34.83 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.418 ' HE2' HD23 ' A' ' 23' ' ' LEU . 52.4 m-85 -80.6 129.98 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 112' ' ' GLN . 21.7 p -93.57 115.55 28.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.3 pp -125.76 160.31 30.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 0.0 111.222 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.63 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -69.02 -170.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.217 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -121.38 -43.68 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -39.76 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -65.42 -29.54 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.74 130.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -173.93 127.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -117.71 130.05 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.88 162.8 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 48.0 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.741 0.305 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.713 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -159.44 131.97 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 111.052 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.633 ' HB3' HD11 ' A' ' 84' ' ' LEU . 53.5 m170 -130.18 117.14 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.794 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 26.9 m-85 -106.41 110.88 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -55.69 109.33 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.837 HD13 ' SG ' ' A' ' 85' ' ' CYS . 15.4 tp -95.16 127.58 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -147.52 142.0 26.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.72 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.4 p90 -176.14 115.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.1 m -65.4 130.9 44.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 HG21 ' A' ' 81' ' ' VAL . 38.7 mt -105.31 95.98 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.0 p -56.27 -27.2 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -71.51 -15.81 62.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.647 ' HG ' HG21 ' A' ' 40' ' ' THR . 1.6 tm? -114.18 91.76 24.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.429 ' O ' HD13 ' A' ' 23' ' ' LEU . 34.1 Cg_exo -59.63 162.08 16.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.525 2.15 . . . . 0.0 112.074 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 9.0 t80 -116.09 97.79 6.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -98.02 -176.53 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.62 -29.12 65.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.736 ' HA ' HG21 ' A' ' 34' ' ' THR . 2.6 m-20 -59.46 -50.12 75.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.92 -29.02 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.075 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -59.94 -20.4 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -128.19 119.85 20.99 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.25 -22.78 34.15 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.446 2.097 . . . . 0.0 112.444 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 t -56.2 -28.85 59.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.736 HG21 ' HA ' ' A' ' 28' ' ' ASP . 73.4 p -71.97 160.11 33.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' HG3' ' A' ' 39' ' ' GLN . 1.6 m -83.05 -28.11 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -61.57 -51.7 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.9 -34.1 71.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.7 mt-30 -58.85 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.041 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.647 HG21 ' HG ' ' A' ' 23' ' ' LEU . 76.2 m -60.9 -33.17 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.993 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.48 -42.96 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.091 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -78.16 -29.65 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 t -65.62 -47.19 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.77 -47.46 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -30.7 67.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -80.86 -37.06 30.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.041 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -72.38 -33.33 67.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 14.5 mt -71.1 -39.3 72.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -57.82 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.975 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.97 -30.51 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' HD23 ' A' ' 51' ' ' LEU . 10.0 tt -66.59 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 17.8 m-85 -75.06 -35.67 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -13.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.341 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -109.37 30.29 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 p -123.2 169.58 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -70.61 -27.71 64.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.79 43.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 45.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.1 m -126.44 -43.3 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.643 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 60.5 m-85 -106.12 -29.8 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.505 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.6 t80 -57.89 126.99 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.2 p -98.48 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.41 -173.63 1.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.23 158.82 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -123.05 96.12 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.8 p -68.69 98.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.45 -64.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.64 -178.22 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -111.54 136.98 49.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -103.52 155.52 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 41.4 t . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.76 0.314 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -131.63 -169.83 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 m -164.46 115.93 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 113.62 4.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.371 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 20' ' ' ILE . 42.2 t -77.09 134.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.84 81.78 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.474 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.66 179.98 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.253 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 13' ' ' HIS . 3.1 tm? -137.81 111.28 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.837 ' SG ' HD13 ' A' ' 16' ' ' LEU . 35.5 m -66.08 79.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.327 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 14.2 m-80 -68.3 139.99 55.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.398 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.705 ' CE2' HG11 ' A' ' 94' ' ' VAL . 7.1 m-85 -129.25 164.18 24.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.87 148.63 57.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.92 -27.02 83.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.559 2.173 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 90' ' ' LEU . 6.5 mp -58.24 -32.63 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.713 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -71.45 -178.51 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.29 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -94.45 37.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 87' ' ' PHE . 21.9 t -99.79 108.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 160.86 14.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.037 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.09 73.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -59.98 -30.82 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.08 -62.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.787 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.7 mt -67.46 -16.94 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.639 ' HB2' HG11 ' A' ' 125' ' ' VAL . 33.4 t80 -81.16 -42.29 21.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.87 -29.91 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -74.91 -32.45 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.59 -48.93 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.444 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 66.6 mt -61.82 -39.77 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -60.19 -36.75 78.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 tpp -81.11 -29.4 34.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 113' ' ' LEU . 57.2 p -95.45 22.24 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.8 m80 54.24 71.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.0 t30 58.22 32.46 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.038 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.32 68.93 1.44 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.5 p -134.9 -45.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.748 0.309 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -140.47 105.7 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.101 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.738 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -78.89 97.42 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.041 HD12 ' HB1' ' A' ' 47' ' ' ALA . 69.2 mt 61.75 -80.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.4 t-20 -136.65 35.99 2.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -143.86 107.71 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.6 p -72.2 114.07 9.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.72 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.9 pp -128.61 160.46 32.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.44 160.82 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -97.08 -42.56 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -32.4 69.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.3 p -70.34 -25.69 63.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 41.6 t -57.51 152.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -169.83 115.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' A' ' 100' ' ' TYR . 8.2 p -120.43 79.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.998 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.48 147.54 24.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 30.8 t . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -142.88 168.52 19.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.814 ' HB3' HD11 ' A' ' 84' ' ' LEU . 37.8 m170 -137.62 128.16 26.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 89.4 m-85 -117.78 109.65 16.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -50.87 105.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.395 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.655 HD23 ' OG ' ' A' ' 83' ' ' SER . 20.5 tp -85.72 138.41 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -152.63 134.72 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.358 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CD2' HD22 ' A' ' 118' ' ' LEU . 26.9 p90 -176.81 113.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.645 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -74.74 138.73 42.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 HG21 ' A' ' 81' ' ' VAL . 15.5 mt -101.08 146.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.906 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.0 p -108.47 33.22 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' ILE . 20.5 t30 -153.62 30.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -136.83 94.49 12.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.766 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 23' ' ' LEU . 29.1 Cg_endo -63.2 126.89 18.79 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.073 . . . . 0.0 112.353 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 26' ' ' SER . 15.0 t80 -85.56 156.86 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.4 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 37.8 m -161.72 172.45 16.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -31.05 69.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.861 ' HA ' HG21 ' A' ' 34' ' ' THR . 65.4 m-20 -60.58 -43.36 97.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.723 HD11 ' HG3' ' A' ' 36' ' ' LYS . 37.3 mm -64.6 -15.41 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.437 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.78 20.31 10.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.268 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.44 115.86 1.16 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.721 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 35.6 Cg_exo -59.31 -18.39 45.06 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.436 2.09 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -62.04 -31.9 72.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.089 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.861 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.5 p -77.73 166.02 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.072 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 39' ' ' GLN . 8.2 m -83.06 -37.11 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.723 ' HG3' HD11 ' A' ' 29' ' ' ILE . 16.3 tptm -54.22 -28.55 41.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 55.4 t80 -67.22 -59.47 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.94 -35.82 81.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.458 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.1 mt-30 -60.07 -52.54 64.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.7 m -72.86 -38.58 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.62 ' CG ' HG11 ' A' ' 66' ' ' VAL . 22.9 tttt -65.62 -32.93 74.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -82.14 -32.57 30.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -61.08 -56.45 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.34 -42.01 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.43 -30.88 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.647 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -76.94 -41.54 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.087 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.92 -44.67 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 13.7 mt -62.0 -39.58 92.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -80.97 -23.73 38.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 103' ' ' PHE . 7.0 tt -78.04 -36.73 48.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 13.6 m-85 -68.2 -50.66 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -23.95 57.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -100.42 -25.12 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 97.7 p -56.2 162.39 2.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.147 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 p -58.51 -22.15 54.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -110.56 55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.026 0.441 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 25.25 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.332 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.6 p -129.22 19.83 5.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.98 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.445 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 20.4 m-85 -152.23 -45.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 52' ' ' PHE . 2.6 t80 -54.77 115.79 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.9 p -76.77 -73.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -159.33 -174.02 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.44 141.61 47.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -115.17 93.7 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.62 HG11 ' CG ' ' A' ' 41' ' ' LYS . 12.0 p -68.56 115.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.15 -66.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.13 -169.87 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -122.5 131.47 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -94.15 115.02 27.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.771 0.319 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 22.5 m170 -78.8 176.35 9.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 83.3 m -161.71 133.6 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.37 119.46 4.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.653 HG21 HD11 ' A' ' 20' ' ' ILE . 43.9 t -87.35 93.79 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.23 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.54 87.44 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.655 ' OG ' HD23 ' A' ' 16' ' ' LEU . 1.6 p -108.94 -177.33 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.9 tm? -137.65 119.99 15.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' HD13 ' A' ' 16' ' ' LEU . 4.8 m -70.03 84.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.548 ' ND2' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -72.95 128.36 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.016 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.596 ' CE1' HD11 ' A' ' 99' ' ' ILE . 6.1 m-85 -117.34 173.19 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.42 166.04 12.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.06 -33.45 73.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.518 2.146 . . . . 0.0 112.261 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.63 -25.87 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.999 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -56.68 143.52 35.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 94' ' ' VAL . 8.3 ttt-85 -89.13 -163.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.792 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -66.95 73.56 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.914 0.388 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . 0.464 HG21 ' CE2' ' A' ' 87' ' ' PHE . 20.1 t -70.02 152.07 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 159.29 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -59.01 -30.38 67.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.6 t -67.9 -29.04 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -63.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.8 mt -65.49 -20.82 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -80.97 -44.21 18.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.448 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.0 mt-10 -68.12 -50.19 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -41.33 86.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.037 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.441 ' O ' HG23 ' A' ' 107' ' ' THR . 32.6 t80 -61.06 -32.62 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.677 HD13 ' NH2' ' A' ' 120' ' ' ARG . 51.2 mt -77.51 -30.21 52.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -29.98 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 tpp -91.57 -23.58 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 113' ' ' LEU . 68.6 p -95.66 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.205 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 40.7 m80 52.76 66.97 1.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.927 0.394 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 t30 60.65 30.48 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.76 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.92 83.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.7 p -157.17 -45.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.033 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -133.98 112.29 11.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 113' ' ' LEU . 3.0 tm? -88.16 95.51 10.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.087 HD12 ' HB1' ' A' ' 47' ' ' ALA . 40.1 mt 61.32 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.73 33.32 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -145.64 117.32 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.5 p -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.796 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.0 pp -129.02 160.52 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.6 OUTLIER -77.52 156.41 30.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.637 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.677 ' NH2' HD13 ' A' ' 104' ' ' LEU . 35.3 ttt-85 -88.34 -47.92 8.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -57.76 -32.95 67.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.2 p -68.24 -31.08 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.785 HG22 ' HB2' ' A' ' 18' ' ' PHE . 24.8 t -65.46 138.54 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -171.04 135.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 125' ' ' VAL . 14.9 p -131.8 124.38 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.47 163.37 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.911 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.783 0.325 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -141.55 156.27 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.573 ' HB3' HD11 ' A' ' 84' ' ' LEU . 7.4 m170 -125.92 121.04 32.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.428 ' O ' HD13 ' A' ' 84' ' ' LEU . 71.2 m-85 -109.27 106.51 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.77 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.8 m120 -51.48 111.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.823 HD13 ' SG ' ' A' ' 85' ' ' CYS . 19.8 tp -96.25 127.0 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -143.75 141.82 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 111.416 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.76 ' CD2' HD22 ' A' ' 118' ' ' LEU . 27.8 p90 -178.83 121.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.595 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.2 m -75.17 137.37 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 81' ' ' VAL . 22.0 mt -106.03 119.18 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.416 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 30.2 p -75.62 -24.65 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -92.57 45.36 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -161.6 89.55 1.51 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.75 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.4 126.84 16.25 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.486 2.124 . . . . 0.0 112.335 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -78.02 91.87 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -110.32 177.0 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.15 -30.5 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 77.4 m-20 -60.78 -30.09 69.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 29' ' ' ILE . 28.6 mm -90.15 12.87 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.43 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 20.71 7.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 111.184 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.53 109.02 1.83 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.657 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 50.8 Cg_exo -54.86 -21.56 26.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.426 2.084 . . . . 0.0 112.551 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.9 t -58.39 -28.52 65.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 p -86.54 164.97 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.803 HG22 ' HG3' ' A' ' 39' ' ' GLN . 3.7 m -83.1 -30.51 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -57.76 -38.74 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.113 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 58.4 t80 -70.26 -46.92 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.63 -31.37 68.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.803 ' HG3' HG22 ' A' ' 35' ' ' THR . 7.9 mt-30 -71.69 -57.62 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.409 HG22 HD11 ' A' ' 44' ' ' ILE . 18.8 m -57.43 -42.42 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.055 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -59.99 -50.77 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.68 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 40' ' ' THR . 18.3 mt -69.01 -50.48 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -38.12 81.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.38 -39.78 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 1.051 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.09 -38.49 85.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 51.0 mt -65.06 -49.54 69.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -31.26 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.45 -29.42 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.38 -40.55 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.1 m-85 -64.52 -44.36 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -28.12 60.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.63 -23.45 15.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.451 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 18.9 p -54.77 168.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.062 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -64.71 -31.63 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.781 HG23 ' OE2' ' A' ' 102' ' ' GLU . 33.9 pt -96.95 47.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -82.74 59.31 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.0 t -151.92 -46.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.53 -30.27 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -59.89 114.05 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -80.27 -68.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -177.3 179.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 158.27 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -124.46 96.79 5.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 66' ' ' VAL . 9.6 p -67.89 104.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.518 HD12 ' OD1' ' A' ' 82' ' ' ASP . 14.3 mt -72.39 -61.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.1 174.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -101.32 137.59 39.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.17 103.5 14.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.812 0.339 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 43.3 m170 -89.71 167.88 12.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.0 m -155.25 122.28 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.73 134.78 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.603 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 20' ' ' ILE . 51.3 t -103.24 125.16 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.518 ' OD1' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -110.43 84.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -109.8 172.8 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -134.42 111.81 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.823 ' SG ' HD13 ' A' ' 16' ' ' LEU . 15.0 m -70.92 75.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.48 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -70.96 155.12 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.477 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 15.6 m-85 -141.73 156.02 45.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 166.29 7.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.36 -40.64 7.87 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.545 2.163 . . . . 0.0 112.209 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.3 -28.74 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.57 100.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.55 30.51 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.76 69.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.8 100.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.83 159.47 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -66.59 -31.13 71.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.66 -27.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 -59.83 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.209 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.69 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.5 mt -65.61 -23.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.527 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.9 t80 -75.61 -43.5 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.36 -45.17 48.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.781 ' OE2' HG23 ' A' ' 57' ' ' ILE . 33.5 mt-10 -63.45 -30.62 71.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' PHE . . . . . 0.573 ' O ' HG23 ' A' ' 107' ' ' THR . 33.6 t80 -75.06 -40.0 60.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 100' ' ' TYR . 8.8 mt -71.75 -32.84 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.53 -34.02 76.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . 0.451 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 4.1 tpp -85.31 -22.23 28.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 113' ' ' LEU . 58.2 p -96.61 32.9 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 57.73 57.34 4.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.62 40.31 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.09 76.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.2 p -157.24 -45.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -137.0 115.36 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.246 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.3 tm? -85.81 94.87 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.632 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 1.051 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.6 mt 62.37 -79.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -133.96 42.4 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.404 ' HE1' HD23 ' A' ' 23' ' ' LEU . 37.9 m-85 -154.89 117.23 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.6 p -81.75 113.73 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.76 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.5 pp -128.02 160.05 33.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ASP . . . . . 0.636 ' O ' HD12 ' A' ' 118' ' ' LEU . 2.1 t70 -65.01 173.61 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -112.2 -49.9 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -38.23 80.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -59.57 -30.42 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 18' ' ' PHE . 19.7 t -63.26 139.38 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -165.52 126.3 1.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 125' ' ' VAL . 11.9 p -126.69 117.8 49.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.82 165.38 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 m 60.47 99.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.824 0.345 . . . . 0.0 110.837 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 m -114.93 31.24 6.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.978 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.16 -129.92 2.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.539 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.0 p 57.98 106.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 0.0 110.909 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -162.68 31.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.58 62.4 2.41 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.513 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.5 m -136.77 153.2 50.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -154.21 -52.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.82 164.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.4 m 60.81 159.71 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -138.15 152.4 48.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.645 ' HB3' HD11 ' A' ' 84' ' ' LEU . 11.6 m170 -121.52 129.82 53.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.467 ' O ' HD22 ' A' ' 84' ' ' LEU . 37.2 m-85 -115.37 133.93 55.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.804 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.5 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.4 m120 -78.94 110.62 14.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.821 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.1 tp -96.27 127.38 42.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.65 179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -143.4 139.59 30.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.889 0.376 . . . . 0.0 111.474 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.923 ' HB2' HG22 ' A' ' 123' ' ' VAL . 22.3 p90 -178.11 113.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.558 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 78.9 m -69.45 137.29 52.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.362 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.627 HD11 HG21 ' A' ' 81' ' ' VAL . 44.8 mt -106.11 103.37 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.0 p -55.53 -25.26 36.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.108 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.76 51.89 2.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.0 0.429 . . . . 0.0 110.947 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.604 HD23 ' HE2' ' A' ' 116' ' ' PHE . 0.4 OUTLIER -169.94 95.68 0.49 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.13 143.71 60.51 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.447 2.098 . . . . 0.0 112.291 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 16.6 t80 -85.99 87.83 7.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.6 m -93.75 177.27 6.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -62.7 -32.76 73.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.842 ' HA ' HG21 ' A' ' 34' ' ' THR . 73.6 m-20 -62.27 -45.12 94.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.882 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.452 HD11 ' HG3' ' A' ' 36' ' ' LYS . 39.4 mm -63.52 -17.27 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.09 -27.47 26.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.74 0.305 . . . . 0.0 111.24 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 34' ' ' THR . 2.9 mm100 -111.56 120.43 42.6 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.021 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.419 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 27.6 Cg_exo -62.05 -12.86 28.28 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.493 2.128 . . . . 0.0 112.789 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -93.01 35.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.787 0.327 . . . . 0.0 111.267 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.842 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.4 p -125.55 170.15 11.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.843 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.0 m -82.27 -46.84 13.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.452 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -57.55 -27.11 62.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.068 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.419 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 25.3 t80 -79.69 -59.17 2.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.5 mm-40 -57.96 -42.66 85.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.176 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -59.44 -60.44 3.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.987 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 6.3 m -59.87 -35.96 75.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -60.06 -44.02 95.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.011 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 -82.92 -31.13 27.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.4 t -59.94 -50.52 73.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.5 mt -68.36 -46.03 81.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -59.58 -31.87 69.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.804 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.9 t-20 -75.54 -38.24 59.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.773 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.998 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -69.03 -35.71 76.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 14.5 mt -69.4 -32.16 70.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.39 -60.93 2.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.781 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.86 -20.23 61.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.074 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.411 ' O ' ' HE3' ' A' ' 106' ' ' MET . 8.9 tt -76.65 -35.44 57.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.8 0.333 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 23.6 m-85 -66.43 -53.35 36.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.995 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.4 ppt_? -55.62 -24.07 31.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.151 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -93.69 -27.66 16.41 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.036 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.424 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 80.9 p -59.02 170.55 0.84 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.4 t -69.96 -29.7 66.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 46.2 pt -93.56 46.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.044 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -87.66 53.73 2.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.813 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -152.72 -46.81 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.787 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.571 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 53.7 m-85 -92.8 -31.0 15.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 10.5 t80 -73.0 119.41 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -81.74 -73.82 0.37 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -160.47 -174.37 4.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -118.15 159.26 23.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -128.1 101.75 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.613 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.6 p -73.02 97.27 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 31.6 mt -61.55 -63.93 1.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.831 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.13 -165.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.014 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -121.63 146.0 47.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.3 mmm-85 -116.79 151.81 35.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.414 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 30.7 t -101.27 99.72 10.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 m -59.32 153.84 3.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.154 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.1 m -81.8 -172.41 3.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 39.3 t30 69.13 -66.73 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.964 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -124.61 137.17 54.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.784 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -98.83 29.28 3.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.965 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -110.61 27.36 9.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.9 m170 -136.88 -175.34 4.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.756 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 80.8 m -158.13 122.15 4.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -82.12 114.33 3.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.354 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.627 HG21 HD11 ' A' ' 20' ' ' ILE . 33.5 t -78.95 112.61 17.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.774 0.321 . . . . 0.0 111.314 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -99.08 85.32 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.288 179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.48 178.27 4.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.156 -179.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' ' 13' ' ' HIS . 0.7 OUTLIER -138.02 104.78 5.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.871 -179.75 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.821 ' SG ' HD13 ' A' ' 16' ' ' LEU . 21.3 m -66.71 75.14 0.11 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.624 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 14.9 m-80 -68.82 149.22 49.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.101 -179.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.52 ' CE2' HG11 ' A' ' 94' ' ' VAL . 7.3 m-85 -129.4 178.55 6.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.916 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.82 166.06 14.71 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -63.15 -27.87 73.26 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.506 2.137 . . . . 0.0 112.214 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.33 -31.08 68.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.841 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.571 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -61.51 113.67 2.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.117 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.36 -41.61 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.899 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -100.04 80.98 2.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.52 HG11 ' CE2' ' A' ' 87' ' ' PHE . 26.9 t -133.51 122.19 43.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.024 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -99.48 168.21 10.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 39.1 mtm-85 -69.94 -51.33 33.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.83 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 16.3 t -58.65 -25.79 29.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.213 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.04 -62.96 1.31 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.753 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.8 mt -65.9 -24.32 33.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.957 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.529 ' CE2' HD11 ' A' ' 104' ' ' LEU . 64.6 t80 -70.79 -42.7 70.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -78.15 -36.41 47.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.065 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.53 -29.63 70.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.955 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -83.94 -30.01 26.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.037 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 100' ' ' TYR . 30.5 mt -74.87 -32.34 61.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.028 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.82 -39.07 90.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.158 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.424 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 2.5 tpp -81.92 -26.81 33.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.226 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.692 HG22 HD23 ' A' ' 113' ' ' LEU . 73.4 p -94.59 20.74 8.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.29 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 38.8 m170 51.3 67.73 0.9 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.908 0.385 . . . . 0.0 111.04 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 64.5 m-20 61.11 31.19 19.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.85 67.56 2.05 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.435 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 41.7 p -137.42 -46.17 0.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.682 0.277 . . . . 0.0 111.027 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.489 ' HG3' HG22 ' A' ' 117' ' ' THR . 5.5 tt0 -131.59 103.35 6.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.173 -179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.731 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.0 tm? -87.75 88.09 7.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.659 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.998 HD12 ' HB1' ' A' ' 47' ' ' ALA . 35.5 mt 61.52 -80.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.084 -179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.401 ' O ' ' CD1' ' A' ' 116' ' ' PHE . 13.3 t30 -134.1 33.54 3.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.849 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.604 ' HE2' HD23 ' A' ' 23' ' ' LEU . 29.1 m-85 -148.53 98.08 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.489 HG22 ' HG3' ' A' ' 112' ' ' GLN . 22.7 p -66.02 118.51 9.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.728 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -131.89 159.55 38.31 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.014 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.655 ' O ' HD12 ' A' ' 118' ' ' LEU . 1.3 t70 -72.79 172.78 10.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.205 -179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.409 ' HG3' HD22 ' A' ' 104' ' ' LEU . 5.3 ttp85 -109.66 -50.23 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -58.84 -35.1 72.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.99 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 100.0 p -64.89 -35.01 79.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.813 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.923 HG22 ' HB2' ' A' ' 18' ' ' PHE . 21.3 t -60.21 147.43 9.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.125 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -173.96 136.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 13.2 p -122.26 136.63 58.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.083 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -136.8 -172.2 3.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 94.5 p -101.56 125.46 48.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -68.22 -81.0 0.2 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.523 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.01 105.99 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.679 2.253 . . . . 0.0 112.23 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -157.44 27.49 0.29 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.028 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 56.91 82.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.95 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.24 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.497 179.936 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.44 -47.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.888 0.375 . . . . 0.0 110.783 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.0 t -162.29 -47.19 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.778 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.66 -106.63 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.482 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m -83.38 72.55 10.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.934 0.397 . . . . 0.0 110.805 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.9 t -91.38 -53.8 4.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.808 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.57 -130.68 5.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.432 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m 59.9 31.53 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.835 0.35 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.7 t 59.96 72.09 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 29.2 t -99.7 31.45 3.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.807 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.5 141.78 36.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -89.03 155.71 19.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.8 ' HB3' HD11 ' A' ' 84' ' ' LEU . 64.9 m170 -124.51 147.37 48.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 94' ' ' VAL . 38.5 m-85 -137.7 126.74 24.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.738 ' O ' HG23 ' A' ' 125' ' ' VAL . 1.7 t-20 -66.53 114.23 5.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.339 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.833 HD13 ' SG ' ' A' ' 85' ' ' CYS . 27.4 tp -96.26 129.29 43.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.56 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -148.18 144.27 27.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.037 0.446 . . . . 0.0 111.359 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.899 ' HB2' HG22 ' A' ' 123' ' ' VAL . 19.7 p90 -176.61 113.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.464 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -67.89 131.17 45.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.331 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.579 HG22 ' H ' ' A' ' 22' ' ' ASN . 22.2 mt -105.04 133.19 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.84 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.422 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 50.8 p -97.74 30.05 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.001 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.579 ' H ' HG22 ' A' ' 20' ' ' ILE . 40.5 t30 -123.27 -42.99 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.9 OUTLIER -78.31 112.38 25.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.821 179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.46 112.91 3.66 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.442 2.095 . . . . 0.0 112.325 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.43 ' CD1' HG23 ' A' ' 79' ' ' THR . 8.0 t80 -69.2 130.23 42.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.8 m -143.38 -173.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.945 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -64.21 -33.86 76.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -64.48 -50.05 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.734 HD11 ' CE ' ' A' ' 36' ' ' LYS . 39.6 mm -72.61 -19.0 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.323 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.74 30.22 2.41 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.823 0.344 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.03 106.33 1.02 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.638 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -67.76 64.22 0.89 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.479 2.119 . . . . 0.0 112.291 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 38.7 t -165.37 31.33 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 12.1 p -134.88 176.29 8.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.79 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.8 m -83.02 -34.0 26.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.021 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.734 ' CE ' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -71.12 -32.74 69.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.888 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -63.61 -59.49 4.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.96 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.96 -28.93 67.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.146 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.4 mm100 -57.25 -65.25 0.66 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.406 HG21 ' HG ' ' A' ' 23' ' ' LEU . 22.6 m -67.05 -30.64 70.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.033 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.483 ' HG2' HG11 ' A' ' 66' ' ' VAL . 17.0 tttm -58.25 -33.5 69.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.975 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -31.74 29.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.94 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -63.85 -52.21 61.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.901 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.555 HD12 ' CE1' ' A' ' 69' ' ' PHE . 44.2 mt -62.97 -45.08 99.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.022 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -59.31 -29.85 67.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.813 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -75.73 -44.72 40.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.015 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -63.43 -34.05 76.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 55.0 mt -71.13 -33.65 70.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -63.41 -59.73 4.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.023 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -56.31 -30.21 62.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.127 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.643 HD12 HD21 ' A' ' 113' ' ' LEU . 5.4 tt -63.96 -45.05 90.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 0.0 110.847 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 10.1 m-85 -61.45 -29.9 70.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -27.22 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -96.79 25.71 5.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 p -122.92 170.67 9.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.846 0.355 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.0 t -59.66 -32.38 70.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 43.5 pt -94.38 46.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.961 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -94.52 43.52 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.1 m -136.2 -46.67 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.51 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 24.4 m-85 -91.21 -32.23 15.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 1.8 t80 -60.62 133.93 56.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.832 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.74 -70.23 0.75 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -161.87 -171.49 2.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 25.9 p -123.17 174.83 7.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -144.23 100.29 3.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.799 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.595 HG13 ' O ' ' A' ' 66' ' ' VAL . 8.3 p -71.68 105.02 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.012 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.551 HD12 ' OD1' ' A' ' 82' ' ' ASP . 18.3 mt -71.43 -58.3 3.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.99 -177.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.093 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' A' ' 44' ' ' ILE . 63.9 m-85 -115.32 131.41 56.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 14.5 mmm180 -78.86 157.43 28.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.824 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 40.9 t -92.57 145.02 24.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.987 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.4 m -128.96 81.15 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.059 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 20.2 m -65.71 -20.87 66.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.216 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -53.53 -56.35 17.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.79 0.329 . . . . 0.0 111.13 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -110.2 -24.88 10.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.9 m120 61.22 20.25 10.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.067 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -122.0 -35.67 3.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 8.7 m170 -80.18 -179.08 6.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.775 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.43 HG23 ' CD1' ' A' ' 25' ' ' TYR . 86.1 m -152.47 113.06 4.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.06 117.43 9.13 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.5 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.656 HG11 ' CE1' ' A' ' 18' ' ' PHE . 61.9 t -80.68 136.17 23.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 111.058 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.551 ' OD1' HD12 ' A' ' 67' ' ' LEU . 1.6 t70 -128.14 74.01 1.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.565 179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.557 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -97.88 176.13 5.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.98 -179.732 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.8 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.3 tm? -133.51 106.92 7.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.967 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.833 ' SG ' HD13 ' A' ' 16' ' ' LEU . 57.9 m -65.43 78.56 0.06 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.599 179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.655 ' ND2' HD12 ' A' ' 84' ' ' LEU . 20.3 m-80 -75.36 139.36 42.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.066 -179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.412 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.0 m-85 -120.72 174.06 6.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.49 165.41 16.75 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -63.77 -27.78 68.11 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.569 2.18 . . . . 0.0 112.282 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mp -66.89 -28.25 68.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.2 156.42 7.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.185 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.12 128.67 1.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.58 71.89 0.53 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.994 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.407 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 27.7 t -124.15 103.16 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -69.49 151.52 45.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -31.25 72.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 26.6 t -66.2 -29.39 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.96 -57.5 12.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.037 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.707 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.4 mt -61.32 -27.87 42.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.853 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.787 ' CE2' HD11 ' A' ' 104' ' ' LEU . 71.8 t80 -72.0 -49.42 37.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.845 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 104' ' ' LEU . 4.6 mt-10 -59.91 -53.04 62.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.09 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -56.45 -29.41 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.502 ' O ' HG23 ' A' ' 107' ' ' THR . 80.1 t80 -72.67 -46.09 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.097 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.787 HD11 ' CE2' ' A' ' 100' ' ' TYR . 3.0 mt -61.27 -45.03 96.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.182 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.74 -54.65 44.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.244 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.465 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.1 ttp -64.57 -27.9 69.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.321 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.688 HG22 HD23 ' A' ' 113' ' ' LEU . 80.4 p -94.63 20.0 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.344 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 52.32 70.2 0.59 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 0.0 111.184 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m120 59.53 34.16 22.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.985 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 57.46 61.21 7.74 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.586 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 25.3 p -127.38 -44.13 1.57 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.808 0.337 . . . . 0.0 111.091 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -139.18 111.05 7.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.202 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.729 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -95.19 96.73 9.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.632 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.015 HD12 ' HB1' ' A' ' 47' ' ' ALA . 53.3 mt 61.84 -78.84 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.09 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 113' ' ' LEU . 13.6 t30 -141.9 38.15 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.835 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -148.03 93.93 2.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.973 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.8 p -60.7 117.23 5.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.85 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.788 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.19 160.46 37.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.636 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.4 OUTLIER -81.05 160.36 24.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.174 -179.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.559 ' HG3' HD22 ' A' ' 104' ' ' LEU . 9.1 ttp180 -98.68 -33.09 11.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -65.94 -22.4 66.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.206 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.9 t -88.67 -31.21 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.179 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.899 HG22 ' HB2' ' A' ' 18' ' ' PHE . 26.5 t -59.27 139.27 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.05 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.446 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 18.8 t80 -174.01 152.28 1.88 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.951 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 15' ' ' ASN . 9.7 p -145.24 126.57 8.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.53 177.53 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.794 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.8 103.79 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.43 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -70.39 -61.29 4.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.651 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.43 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 18.6 Cg_endo -60.19 110.65 0.81 Allowed 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.61 2.206 . . . . 0.0 112.305 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.3 t -176.31 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.98 -168.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.914 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.396 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.527 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -107.1 32.22 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.8 p -75.23 120.31 20.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.07 -56.36 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.584 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -83.95 89.48 7.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.1 107.16 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.93 70.58 0.74 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.552 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 27.1 m -81.82 -31.35 31.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.357 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.89 57.26 4.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 p -160.39 145.75 14.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.76 161.71 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.962 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -144.74 155.24 43.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.707 ' HB3' HD11 ' A' ' 84' ' ' LEU . 26.3 m170 -119.61 144.96 46.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -130.08 102.69 6.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.58 ' HA ' HD22 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -53.89 112.39 0.93 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.381 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.85 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.2 tp -97.45 129.08 44.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.64 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -144.81 136.22 25.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.038 0.447 . . . . 0.0 111.305 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.628 ' CD2' HD22 ' A' ' 118' ' ' LEU . 24.5 p90 -177.03 116.86 0.1 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.665 179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -76.59 139.44 40.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.283 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.575 HD11 HG21 ' A' ' 81' ' ' VAL . 20.7 mt -105.13 101.73 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.979 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.425 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 6.1 p -58.98 -28.25 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.062 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -73.13 -37.16 66.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.506 ' H ' HG22 ' A' ' 20' ' ' ILE . 0.5 OUTLIER -87.92 109.56 28.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.29 174.19 13.23 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.425 2.083 . . . . 0.0 112.299 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.421 ' CD2' ' HA ' ' A' ' 71' ' ' SER . 2.5 t80 -123.65 100.59 6.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.6 p -100.84 179.8 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.49 -30.52 70.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HA ' HG21 ' A' ' 34' ' ' THR . 55.9 m-20 -59.05 -44.12 91.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.968 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.61 HD11 ' HG3' ' A' ' 36' ' ' LYS . 35.5 mm -63.0 -17.96 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.396 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.43 -19.67 38.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.417 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 48.5 mm-40 -124.04 110.38 29.23 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.999 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.41 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.3 Cg_exo -54.16 -24.6 34.13 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.478 2.119 . . . . 0.0 112.348 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.5 t -56.09 -30.74 62.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.1 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.438 HG21 ' HA ' ' A' ' 28' ' ' ASP . 51.0 p -76.89 165.32 24.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.5 m -82.98 -31.37 27.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.073 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.61 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -55.55 -30.03 60.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.41 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 64.6 t80 -75.26 -48.56 22.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -68.8 -41.19 79.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.958 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -59.83 -60.54 3.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.002 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.455 HG21 HD11 ' A' ' 23' ' ' LEU . 4.4 m -60.66 -46.25 91.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.91 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.6 tttt -57.67 -37.29 73.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.035 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.1 tpt85 -82.2 -29.64 31.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -53.57 20.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.002 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.564 HD12 ' CE1' ' A' ' 69' ' ' PHE . 45.2 mt -61.32 -43.74 97.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.105 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -60.64 -30.39 69.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.981 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -76.15 -45.28 34.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.913 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -59.1 -40.23 84.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.17 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 30.9 mt -68.9 -33.85 74.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.952 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -60.78 -45.61 93.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -52.56 57.53 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.8 tt -49.74 -34.56 19.36 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.428 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.439 ' CE2' ' HB2' ' A' ' 64' ' ' CYS . 21.4 m-85 -62.86 -61.71 2.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.78 -26.66 58.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.127 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -80.01 -29.7 39.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 53.4 p -60.78 165.99 3.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.989 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.2 t -66.45 -27.8 68.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 38.5 pt -93.62 45.82 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.064 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.2 pttm -86.18 55.5 3.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.1 t -153.13 -47.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.782 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.645 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.3 m-85 -86.09 -30.52 22.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.795 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.407 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.9 t80 -61.49 119.76 9.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -84.48 -63.77 1.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -177.09 -179.08 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.01 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -118.07 164.55 14.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.4 108.04 6.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.639 HG13 ' O ' ' A' ' 66' ' ' VAL . 9.3 p -75.91 98.56 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.006 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.417 HD12 ' OD1' ' A' ' 82' ' ' ASP . 34.1 mt -58.83 -57.72 11.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.17 177.2 2.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.103 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.564 ' CE1' HD12 ' A' ' 44' ' ' ILE . 61.9 m-85 -106.9 147.01 30.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -98.22 130.92 44.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.421 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -85.41 128.92 34.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 78' ' ' HIS . 31.2 m -107.68 138.92 31.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.063 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.4 m -110.96 -25.08 10.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -69.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.864 0.364 . . . . 0.0 111.053 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.45 ' CB ' ' CE1' ' A' ' 78' ' ' HIS . 7.0 t-20 -88.8 -29.24 19.89 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 62.93 27.69 16.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.961 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -142.91 18.25 1.96 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.146 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.501 ' HB2' HG21 ' A' ' 72' ' ' VAL . 5.5 m170 -122.55 -175.74 3.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.774 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.5 m -163.99 117.77 1.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.055 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 140.34 37.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.302 179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.575 HG21 HD11 ' A' ' 20' ' ' ILE . 23.7 t -112.25 87.9 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.793 0.33 . . . . 0.0 111.395 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.417 ' OD1' HD12 ' A' ' 67' ' ' LEU . 2.0 t0 -84.66 85.16 7.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.452 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.603 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.73 -176.47 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.08 -179.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.4 tm? -140.63 101.46 4.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.091 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.85 ' SG ' HD13 ' A' ' 16' ' ' LEU . 11.9 m -67.87 75.58 0.2 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.406 179.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.567 ' CG ' HD12 ' A' ' 84' ' ' LEU . 10.9 m-20 -69.83 155.59 40.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.168 -179.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.583 ' CE1' HD11 ' A' ' 99' ' ' ILE . 12.0 m-85 -139.72 153.26 47.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -76.65 167.0 40.52 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -68.11 -26.9 36.22 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.523 2.149 . . . . 0.0 112.314 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.0 mp -59.74 -29.65 68.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.645 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.46 166.62 1.2 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -170.33 126.13 0.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.112 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 62.52 44.84 6.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.083 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 38.8 t -85.2 89.96 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.073 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -63.8 148.69 48.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.883 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -59.29 -32.62 70.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 101' ' ' GLU . 18.7 t -59.78 -27.13 37.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.21 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.44 -62.05 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.217 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.4 mt -67.93 -24.95 31.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.041 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.548 ' CE2' HD11 ' A' ' 104' ' ' LEU . 46.6 t80 -74.73 -42.7 57.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.998 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.643 ' HG3' HG12 ' A' ' 97' ' ' VAL . 2.7 mt-10 -75.29 -53.78 8.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.79 -29.97 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.197 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -79.01 -45.07 20.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.035 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.548 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -60.69 -52.64 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.249 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.21 -43.33 74.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.301 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.3 tpp -72.1 -28.91 63.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.256 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.78 HG22 HD23 ' A' ' 113' ' ' LEU . 49.2 p -92.4 14.76 15.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.45 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 18.6 m80 56.08 79.28 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.818 0.342 . . . . 0.0 111.239 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.3 m120 57.9 28.83 16.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.324 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.405 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 56.85 40.96 90.89 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.641 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 70.7 p -120.02 -33.03 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.613 0.244 . . . . 0.0 111.195 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.28 115.49 15.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.885 0.374 . . . . 0.0 111.309 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.78 HD23 HG22 ' A' ' 107' ' ' THR . 2.1 tm? -99.54 96.56 7.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.619 179.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.913 HD12 ' HB1' ' A' ' 47' ' ' ALA . 26.8 mt 62.13 -80.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -139.02 29.96 2.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.855 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.455 ' CE1' HD23 ' A' ' 23' ' ' LEU . 40.6 m-85 -142.32 107.7 5.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.936 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 23.1 p -71.2 113.79 8.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 119' ' ' ASP . 4.1 pp -124.91 159.31 31.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.972 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.666 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -64.61 157.41 27.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.037 -179.804 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -51.64 4.21 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.789 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.36 -29.57 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.6 t -67.18 -31.18 71.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.465 HG22 ' HB2' ' A' ' 18' ' ' PHE . 27.6 t -63.72 123.23 16.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -153.91 127.92 8.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.596 ' O ' HG13 ' A' ' 125' ' ' VAL . 12.2 p -121.3 109.72 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.076 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -115.11 156.29 25.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.9 m -66.12 96.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.04 -178.59 1.82 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.519 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -78.77 159.87 27.88 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.705 2.27 . . . . 0.0 112.434 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.7 m 59.37 98.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.8 t -131.3 -46.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.534 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -99.46 122.24 42.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.884 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 m -74.96 96.13 3.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.2 106.53 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.501 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -134.77 -46.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.9 p -56.87 115.81 2.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.013 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.33 27.34 4.22 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.404 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.1 m -75.35 124.51 27.24 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 m 60.39 -177.26 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.0 m -143.9 31.0 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 15.0 p -111.63 174.98 5.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.406 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -134.84 139.21 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.658 ' HB3' HD11 ' A' ' 84' ' ' LEU . 12.0 m-70 -126.02 132.1 52.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -125.03 113.15 17.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.799 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.582 ' O ' HG23 ' A' ' 125' ' ' VAL . 2.3 m120 -56.61 115.62 2.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.779 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.9 tp -100.67 120.89 40.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.715 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 m-80 -136.36 139.71 42.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 0.0 111.313 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' A' ' 118' ' ' LEU . 25.4 p90 -178.23 115.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.571 179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.462 HG23 ' C ' ' A' ' 79' ' ' THR . 90.9 m -72.88 137.3 45.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.216 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.573 HD11 HG21 ' A' ' 81' ' ' VAL . 19.6 mt -102.5 101.74 12.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.843 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.4 p -55.37 -27.86 50.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.285 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -92.95 49.88 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.921 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.425 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -161.78 87.89 1.53 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.982 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -53.46 151.02 25.06 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.615 2.21 . . . . 0.0 112.26 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 71' ' ' SER . 35.4 t80 -108.47 114.66 28.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.3 m -126.01 176.26 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.8 -28.71 67.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.12 -48.26 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.889 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.73 HD11 ' HG2' ' A' ' 36' ' ' LYS . 32.4 mm -68.09 -14.48 18.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.368 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.03 -23.43 19.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.786 0.327 . . . . 0.0 111.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.8 mm-40 -110.81 108.18 57.87 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.421 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 15.3 Cg_exo -67.75 61.91 0.88 Allowed 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.668 2.245 . . . . 0.0 112.216 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.9 t -143.89 -41.68 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 16.3 p -65.91 178.03 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -83.05 -31.04 27.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.977 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.73 ' HG2' HD11 ' A' ' 29' ' ' ILE . 1.3 tttm -60.01 -37.37 79.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.031 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.421 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.8 t80 -72.82 -38.67 67.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -78.43 -30.35 47.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.03 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -70.03 -55.91 8.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.943 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 8.8 m -58.49 -47.26 84.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' HG3' HG11 ' A' ' 66' ' ' VAL . 16.2 tttt -57.79 -36.47 72.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.073 -179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.94 -37.03 24.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.983 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.52 -53.66 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.953 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.2 mt -61.32 -43.98 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -32.06 70.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.767 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 45.4 t30 -78.56 -40.63 34.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.031 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -66.3 -33.17 75.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.006 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 46.1 mt -74.55 -31.83 62.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.86 -58.24 9.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.951 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -60.98 -31.05 70.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.9 tt -61.69 -41.18 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.901 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.507 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 11.5 m-85 -70.36 -33.23 71.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 21.6 mtt-85 -74.88 -27.46 60.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -95.49 -25.66 16.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.206 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 95.7 p -55.44 169.31 0.3 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.086 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.38 -30.07 65.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.458 HD12 ' CE2' ' A' ' 87' ' ' PHE . 13.0 pt -99.72 48.48 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.068 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.44 57.1 4.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.5 p -144.9 -47.27 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.563 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.8 m-85 -106.82 24.37 12.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.133 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.507 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -110.33 106.06 15.3 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.842 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.9 t -67.45 -69.64 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -177.52 -171.58 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.72 139.84 47.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -112.73 91.98 3.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.794 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 66' ' ' VAL . 10.4 p -61.54 109.51 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.048 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.0 mt -72.8 -61.8 1.68 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -171.87 174.21 4.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -102.89 150.8 23.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -118.2 161.68 19.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.981 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.408 ' HB2' ' CE2' ' A' ' 25' ' ' TYR . 21.5 t -114.97 101.64 9.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.52 HG21 ' HB2' ' A' ' 78' ' ' HIS . 15.3 m -59.74 -30.43 44.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.18 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.3 t 60.03 36.94 21.42 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.33 -73.81 0.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -114.16 14.99 18.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.291 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 10.8 m120 53.43 29.41 8.83 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.156 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -141.86 24.55 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.049 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.52 ' HB2' HG21 ' A' ' 72' ' ' VAL . 11.5 m170 -135.79 164.56 27.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.765 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.462 ' C ' HG23 ' A' ' 19' ' ' THR . 45.4 m -146.85 129.41 15.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.42 116.58 4.36 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.573 HG21 HD11 ' A' ' 20' ' ' ILE . 37.4 t -83.86 127.0 40.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 111.161 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -115.88 79.76 1.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.435 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.459 ' OG ' HD23 ' A' ' 16' ' ' LEU . 3.5 p -103.64 172.52 6.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.157 -179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.658 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.7 tm? -128.47 108.41 10.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.813 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.779 ' SG ' HD13 ' A' ' 16' ' ' LEU . 2.3 m -66.18 79.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.763 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.536 ' CG ' HD12 ' A' ' 84' ' ' LEU . 29.5 m-80 -73.23 145.51 46.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.608 ' CE1' HD13 ' A' ' 99' ' ' ILE . 11.1 m-85 -133.78 158.45 43.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.8 OUTLIER -72.91 146.39 87.64 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 88' ' ' SER . 25.7 Cg_exo -61.82 -25.86 78.83 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.559 2.173 . . . . 0.0 112.308 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.5 mp -53.34 -25.98 17.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.211 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.563 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -85.49 161.15 19.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.188 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -164.47 31.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 30.7 0.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 20.9 t -95.13 137.33 23.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.109 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -126.03 163.68 22.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.701 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -59.82 -34.02 72.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.943 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.38 -40.12 87.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.167 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.64 -46.82 80.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.608 HD13 ' CE1' ' A' ' 87' ' ' PHE . 13.8 mt -71.08 -29.02 34.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.77 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.503 ' HE1' HG12 ' A' ' 123' ' ' VAL . 81.0 t80 -76.17 -44.11 39.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.803 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -62.44 -53.95 47.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.194 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -33.46 67.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.037 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.407 ' O ' HG23 ' A' ' 107' ' ' THR . 41.3 t80 -71.27 -34.13 70.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.957 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.456 HD11 ' CE2' ' A' ' 100' ' ' TYR . 24.2 mt -64.25 -45.88 86.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.1 ttm180 -54.56 -59.78 4.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.404 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.9 tpp -59.12 -27.88 66.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.267 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.67 HG22 HD23 ' A' ' 113' ' ' LEU . 69.5 p -93.44 16.23 13.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.321 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 35.1 m80 53.78 67.05 1.07 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.846 0.355 . . . . 0.0 110.98 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.5 t30 63.56 35.61 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.964 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 58.79 58.04 16.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 57.9 p -142.09 -43.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.672 0.273 . . . . 0.0 111.33 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -127.02 100.58 6.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.258 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.745 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.1 tm? -82.96 95.2 7.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.641 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.031 HD12 ' HB1' ' A' ' 47' ' ' ALA . 82.5 mt 59.96 -82.63 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 65.1 m-20 -133.92 26.17 3.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.87 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 23.3 m-85 -136.56 103.48 5.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 30.5 p -71.32 113.42 8.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -124.53 159.98 29.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.744 ' O ' HD12 ' A' ' 118' ' ' LEU . 5.3 t0 -59.78 171.96 0.81 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 56.7 ttp180 -111.22 -53.18 2.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.846 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 11.2 pttt -58.71 -34.25 71.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.7 p -65.94 -31.25 72.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.897 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.503 HG12 ' HE1' ' A' ' 100' ' ' TYR . 17.9 t -62.19 133.78 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.143 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -168.7 158.15 8.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.701 HG13 ' HB2' ' A' ' 96' ' ' ARG . 9.7 p -152.04 130.08 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.06 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -126.48 170.58 11.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 22.8 t -75.81 95.34 3.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -73.63 164.46 54.81 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -57.89 166.56 5.19 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.683 2.255 . . . . 0.0 112.221 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 35.5 t -166.95 -45.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.01 -48.85 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.529 -179.947 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -112.6 140.01 47.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.38 -78.68 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.81 87.99 1.56 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.87 -39.99 3.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.758 0.313 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.2 p -60.5 -173.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.57 43.56 0.24 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.586 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.6 t -165.66 -74.15 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.868 0.365 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.0 m -123.09 -177.02 3.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -126.24 80.26 1.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 87.8 p -97.42 176.37 5.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.809 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.8 136.38 11.25 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.005 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.596 ' HB3' HD11 ' A' ' 84' ' ' LEU . 14.9 m-70 -128.24 109.53 11.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -102.18 116.32 32.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.715 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.737 ' O ' HG23 ' A' ' 125' ' ' VAL . 0.5 OUTLIER -58.45 120.14 8.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.141 -179.816 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.829 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.6 tp -98.61 127.61 44.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.55 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -141.69 137.13 31.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.963 0.411 . . . . 0.0 111.601 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.756 ' CD2' HD22 ' A' ' 118' ' ' LEU . 29.0 p90 -177.69 113.04 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.512 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.534 HG21 HG11 ' A' ' 72' ' ' VAL . 93.4 m -71.93 140.54 49.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 81' ' ' VAL . 29.4 mt -106.96 140.56 24.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.738 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 72.1 p -102.15 38.15 1.72 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.937 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -151.63 36.22 0.57 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.829 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.693 ' HG ' HG21 ' A' ' 40' ' ' THR . 0.5 OUTLIER -152.61 100.54 2.76 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.76 140.58 47.01 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.35 2.033 . . . . 0.0 112.32 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.1 t80 -98.75 109.37 22.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.92 -169.6 2.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.968 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -64.27 -32.28 73.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.722 ' HA ' HG21 ' A' ' 34' ' ' THR . 5.4 m-20 -59.88 -44.72 94.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.635 HD11 ' HG2' ' A' ' 36' ' ' LYS . 36.2 mm -66.54 -13.94 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.41 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.26 -22.09 22.88 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.745 0.307 . . . . 0.0 111.26 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -116.01 107.84 47.28 Favored Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.955 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.414 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 51.2 Cg_exo -52.94 -26.62 32.19 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.473 2.115 . . . . 0.0 112.41 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.8 t -58.38 -30.03 66.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.107 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.722 HG21 ' HA ' ' A' ' 28' ' ' ASP . 10.3 p -73.17 165.9 24.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.004 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.535 HG22 ' HG3' ' A' ' 39' ' ' GLN . 64.5 m -83.05 -34.33 26.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.635 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -54.09 -32.87 56.09 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.077 -179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE1' ' HD2' ' A' ' 41' ' ' LYS . 59.7 t80 -74.28 -55.87 5.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -61.98 -38.93 90.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.535 ' HG3' HG22 ' A' ' 35' ' ' THR . 0.1 OUTLIER -53.64 -59.85 4.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.345 -179.821 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.693 HG21 ' HG ' ' A' ' 23' ' ' LEU . 7.2 m -66.59 -41.28 88.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.192 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.68 ' HG2' HG11 ' A' ' 66' ' ' VAL . 16.3 tttt -57.77 -39.19 76.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.237 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.44 -29.65 27.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.148 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.31 -52.59 38.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.038 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.51 HD12 ' CE1' ' A' ' 69' ' ' PHE . 46.1 mt -64.05 -47.24 91.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.321 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.51 -46.44 88.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.775 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -60.24 -41.66 93.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.715 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.022 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -64.79 -41.29 95.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.045 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.435 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 81.6 mt -70.61 -29.35 65.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.51 -59.59 4.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.818 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -61.19 -29.72 69.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.45 ' HG ' ' HE2' ' A' ' 106' ' ' MET . 4.2 tt -58.83 -50.32 74.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.5 ' CG ' ' CE1' ' A' ' 61' ' ' PHE . 8.8 m-85 -64.24 -30.67 71.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -72.56 -28.85 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -113.6 31.05 6.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.1 p -108.08 165.25 11.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.99 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.1 t -59.16 -32.2 69.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 30.8 pt -107.33 52.62 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.968 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.16 28.17 2.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.15 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 m -116.3 -31.25 5.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' CG ' ' HA ' ' A' ' 91' ' ' ALA . 44.1 m-85 -109.04 -30.06 8.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.057 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.5 ' CE1' ' CG ' ' A' ' 52' ' ' PHE . 3.3 t80 -59.06 127.55 32.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.929 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.72 -64.3 1.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.008 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -173.78 -169.33 0.49 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.956 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 28.2 p -122.9 146.35 47.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -124.06 103.23 8.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.68 HG11 ' HG2' ' A' ' 41' ' ' LYS . 8.9 p -72.71 105.06 2.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.026 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.3 mt -65.63 -55.81 15.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.851 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.79 179.09 1.42 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.062 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 44' ' ' ILE . 66.0 m-85 -113.4 127.5 56.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -97.17 160.12 14.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.2 t -106.82 116.17 31.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.687 HG21 ' HB2' ' A' ' 78' ' ' HIS . 5.6 m -58.87 -31.11 44.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.5 m 59.79 29.95 19.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -100.07 -50.65 3.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.968 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 57.3 t30 -133.04 10.64 4.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.347 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.8 m120 54.97 38.53 30.64 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 120.827 0.346 . . . . 0.0 111.086 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -137.61 -51.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.687 ' HB2' HG21 ' A' ' 72' ' ' VAL . 16.5 m170 -69.96 161.96 28.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.971 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 19' ' ' THR . 68.2 m -142.8 143.52 32.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.89 130.9 10.33 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 20' ' ' ILE . 33.9 t -97.03 97.17 6.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -90.7 81.08 5.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.698 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.428 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -99.79 -178.39 3.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.988 -179.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.596 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.8 tm? -137.81 112.42 8.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.008 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.829 ' SG ' HD13 ' A' ' 16' ' ' LEU . 63.6 m -70.05 78.25 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.873 0.368 . . . . 0.0 110.435 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -66.47 141.19 57.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.426 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.579 ' CE1' HD11 ' A' ' 99' ' ' ILE . 5.9 m-85 -128.82 158.76 37.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.679 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.1 164.47 36.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.868 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_endo -63.02 -32.23 76.07 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.535 2.157 . . . . 0.0 112.165 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -65.35 -21.74 66.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.05 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HA ' ' CG ' ' A' ' 60' ' ' TYR . . . -49.34 128.77 17.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.462 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.4 tpt180 -138.7 134.49 33.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 62.34 75.35 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 14.8 t -130.92 151.97 36.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.019 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -144.7 158.43 43.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.962 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -59.72 -29.01 67.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.011 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 24.8 t -70.95 -30.74 42.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.66 -62.91 1.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.078 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.712 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.7 mt -62.28 -23.64 32.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.057 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.557 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.7 t80 -72.99 -44.71 60.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.878 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -74.14 -45.84 46.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.015 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.52 -29.58 66.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.023 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.487 ' CZ ' HG21 ' A' ' 107' ' ' THR . 43.7 t80 -76.93 -46.56 23.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.007 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.557 HD11 ' CE2' ' A' ' 100' ' ' TYR . 19.1 mt -63.91 -36.3 83.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 8.0 mtp180 -66.01 -28.15 68.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.205 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.45 ' HE2' ' HG ' ' A' ' 51' ' ' LEU . 2.8 tpp -93.98 -26.1 16.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.225 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.546 HG22 HD23 ' A' ' 113' ' ' LEU . 61.2 p -96.57 25.58 5.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.302 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 53.23 66.39 1.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 111.183 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 16.1 t30 61.25 34.63 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.99 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.468 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 57.1 44.32 93.11 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.621 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.3 p -115.24 -30.01 6.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.186 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.619 ' OE1' HG23 ' A' ' 117' ' ' THR . 0.6 OUTLIER -145.59 127.73 15.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.085 -179.802 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.653 HD13 ' O ' ' A' ' 113' ' ' LEU . 3.2 tm? -104.71 89.08 3.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.364 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.022 HD12 ' HB1' ' A' ' 47' ' ' ALA . 25.4 mt 61.86 -79.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.934 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -133.81 30.63 3.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.837 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -138.95 99.41 3.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.843 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 112' ' ' GLN . 0.8 OUTLIER -65.01 117.37 7.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.756 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.0 pp -134.84 159.17 42.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.999 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.414 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -75.45 163.59 27.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.122 -179.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.44 ' HG3' HD22 ' A' ' 104' ' ' LEU . 0.6 OUTLIER -97.0 -45.46 6.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.765 179.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -59.48 -35.85 74.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.757 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 88.2 p -63.81 -30.94 71.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.827 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.612 HG22 ' HB2' ' A' ' 18' ' ' PHE . 30.3 t -59.98 144.45 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.982 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 11.4 t80 -174.03 142.52 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.82 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 15' ' ' ASN . 12.8 p -141.77 134.8 29.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.225 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.04 -169.26 2.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.775 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.24 92.68 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.001 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 67.79 -120.43 12.58 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.57 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -68.36 164.44 32.53 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.452 2.101 . . . . 0.0 112.385 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.94 142.44 44.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.837 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.08 119.11 38.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.404 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.556 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.6 p -158.66 78.92 0.79 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.37 -51.89 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.15 -172.43 17.36 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m 69.16 -66.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.348 . . . . 0.0 110.99 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.8 t -58.56 -66.72 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.995 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.63 -132.35 10.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.479 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.04 -176.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.828 0.346 . . . . 0.0 110.869 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.8 178.98 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.2 m 60.68 168.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 11.4 p 59.22 161.99 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.88 156.57 48.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.534 ' HB3' HD11 ' A' ' 84' ' ' LEU . 15.5 m-70 -128.44 130.56 47.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.0 m-85 -122.16 109.7 14.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.541 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.1 t-20 -54.65 110.04 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.059 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.755 HD13 ' SG ' ' A' ' 85' ' ' CYS . 21.4 tp -95.2 130.48 41.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.684 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -151.15 144.7 24.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.961 0.41 . . . . 0.0 111.3 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.755 ' CD2' HD22 ' A' ' 118' ' ' LEU . 25.6 p90 -178.37 120.94 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.73 131.25 44.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.215 -179.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.654 HD11 HG21 ' A' ' 81' ' ' VAL . 30.6 mt -101.84 103.69 15.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.047 179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.5 p -60.54 -29.99 69.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.036 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -88.79 53.58 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.963 0.411 . . . . 0.0 110.901 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.63 100.07 0.6 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.93 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.26 142.91 46.93 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.487 2.125 . . . . 0.0 112.303 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -96.16 93.34 6.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.939 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 t -97.15 -175.37 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.927 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -70.43 -31.22 68.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -61.64 -45.86 92.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.451 HD11 ' HG2' ' A' ' 36' ' ' LYS . 44.4 mm -58.3 -23.43 22.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.14 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.46 -25.47 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.205 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -109.02 115.84 56.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.908 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.45 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 32.3 Cg_exo -58.3 -18.42 37.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.577 2.184 . . . . 0.0 112.623 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.3 t -95.35 36.97 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.09 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 77.7 p -116.78 171.24 8.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.4 m -79.65 -48.46 13.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.451 ' HG2' HD11 ' A' ' 29' ' ' ILE . 0.2 OUTLIER -58.98 -29.49 67.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.96 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.45 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 34.4 t80 -79.5 -55.36 5.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -59.43 -32.56 70.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 -69.08 -56.98 6.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.948 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.511 HG22 HD11 ' A' ' 44' ' ' ILE . 15.4 m -63.55 -36.97 85.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.6 tttt -62.6 -41.49 99.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.951 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.5 -37.14 68.47 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.05 -45.12 96.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.511 HD11 HG22 ' A' ' 40' ' ' THR . 11.5 mt -69.25 -49.01 65.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.01 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.12 71.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -79.17 -42.16 26.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.829 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.673 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.66 -40.09 92.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.068 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 91.6 mt -70.88 -30.59 67.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -57.98 -65.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -60.0 -28.83 68.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.968 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 7.9 tt -58.96 -43.2 91.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.984 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.504 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 13.2 m-85 -69.47 -45.76 68.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.1 mtt-85 -59.63 -26.69 65.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.059 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -112.24 34.11 4.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.013 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.0 p -109.03 -176.53 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.2 m -78.22 -29.89 48.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.801 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.411 HD12 ' CE2' ' A' ' 87' ' ' PHE . 27.3 pt -109.34 53.81 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -93.22 30.96 1.54 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.119 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.49 -35.41 3.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.91 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.574 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 30.4 m-85 -106.52 -24.82 12.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.107 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 4.7 t80 -57.2 144.36 35.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.853 0.359 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.7 m -109.01 -71.69 0.75 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -171.25 175.41 4.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.002 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.31 170.71 8.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -149.2 82.21 1.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.896 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.629 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.7 p -63.44 97.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 39.1 mt -60.72 -64.38 0.97 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -174.9 165.14 3.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.117 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -85.75 169.19 13.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 33.4 mmm-85 -135.53 123.27 22.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p -59.0 175.35 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 m -137.23 151.56 26.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.138 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.5 p -113.39 -35.52 5.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.04 -48.82 80.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -137.28 105.15 5.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -63.66 82.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -177.45 -58.77 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -58.33 158.79 6.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 51.9 m -133.31 131.03 39.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -87.16 128.08 8.78 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.42 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.654 HG21 HD11 ' A' ' 20' ' ' ILE . 45.9 t -94.12 137.39 23.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.93 0.395 . . . . 0.0 111.25 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -126.1 79.7 1.86 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.37 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.426 ' OG ' HD23 ' A' ' 16' ' ' LEU . 3.9 p -106.08 177.83 4.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.086 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 85' ' ' CYS . 1.1 tm? -131.44 122.38 26.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.973 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.755 ' SG ' HD13 ' A' ' 16' ' ' LEU . 4.6 m -82.63 76.8 9.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.625 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.421 ' CG ' HD12 ' A' ' 84' ' ' LEU . 55.9 m-20 -71.91 148.44 46.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.011 -179.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.541 ' CE1' HD13 ' A' ' 99' ' ' ILE . 10.9 m-85 -133.73 165.65 24.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.87 151.22 86.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.65 -22.47 50.5 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.563 2.175 . . . . 0.0 112.42 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mp -57.42 -34.61 69.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.944 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.574 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -64.81 159.01 23.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.054 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.25 31.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.54 37.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 16.6 t -89.6 143.3 11.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.099 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -122.23 152.28 40.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 10.7 ptt85 -59.89 -31.92 70.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.877 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.444 HG12 ' HG3' ' A' ' 101' ' ' GLU . 28.3 t -71.1 -32.83 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.09 -44.06 97.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.541 HD13 ' CE1' ' A' ' 87' ' ' PHE . 13.1 mt -75.4 -30.3 22.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.744 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.583 ' HE1' HG12 ' A' ' 123' ' ' VAL . 55.5 t80 -74.16 -39.14 63.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.444 ' HG3' HG12 ' A' ' 97' ' ' VAL . 6.3 mt-10 -72.37 -48.0 45.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.245 -179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -58.36 -31.45 67.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.09 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.78 ' CE2' HG21 ' A' ' 107' ' ' THR . 64.4 t80 -77.09 -29.62 55.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.053 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.484 HD11 ' CE2' ' A' ' 100' ' ' TYR . 57.1 mt -72.36 -26.47 61.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.188 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -72.74 -32.03 65.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.38 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.0 tpp -94.04 -24.2 17.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.517 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.783 HG22 HD23 ' A' ' 113' ' ' LEU . 71.0 p -93.76 19.09 9.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.433 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 5.0 m80 52.96 68.25 0.86 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.9 0.381 . . . . 0.0 111.102 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 61.2 28.45 18.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.989 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.83 40.59 95.63 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.589 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 64.0 p -118.84 -33.43 4.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.659 0.266 . . . . 0.0 111.272 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -140.76 117.06 10.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.388 . . . . 0.0 111.185 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.783 HD23 HG22 ' A' ' 107' ' ' THR . 1.9 tm? -90.87 86.43 6.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.613 179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.673 HD12 ' HB1' ' A' ' 47' ' ' ALA . 36.0 mt 60.98 -80.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 113' ' ' LEU . 10.4 t30 -129.21 30.49 5.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.922 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -141.56 94.49 2.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 33.7 p -64.98 114.7 4.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.755 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.9 pp -131.94 159.86 37.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.984 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.599 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -69.9 167.42 17.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.008 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -104.62 -41.91 5.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.783 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.03 -25.66 67.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.928 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 60.2 p -74.92 -34.56 62.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.952 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 18' ' ' PHE . 22.5 t -59.57 139.07 19.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 41.1 t80 -167.6 132.79 1.94 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.829 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 14.8 p -126.34 131.07 71.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.137 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.08 178.46 4.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.78 78.4 4.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 66.62 173.59 5.59 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.544 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -84.26 -46.18 0.05 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.871 2.381 . . . . 0.0 112.438 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 23.9 p -177.11 157.03 1.34 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 25.8 t -132.57 133.78 44.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 -179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -138.55 178.49 7.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.326 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -77.31 107.82 9.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.01 137.77 22.63 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.547 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.2 t -72.44 -38.76 68.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.33 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -97.32 39.01 1.21 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.47 -172.76 13.05 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.51 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.31 -40.06 45.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.835 0.35 . . . . 0.0 110.831 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.6 t 60.85 37.86 18.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.9 m -137.22 31.26 2.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.34 172.11 10.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -142.71 161.66 37.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.03 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.599 ' HB3' HD11 ' A' ' 84' ' ' LEU . 21.1 m170 -128.79 117.53 21.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.835 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.433 ' O ' HD13 ' A' ' 84' ' ' LEU . 33.3 m-85 -108.82 108.29 19.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.767 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.7 t30 -54.27 110.5 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.309 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.784 HD13 ' SG ' ' A' ' 85' ' ' CYS . 19.1 tp -96.12 125.3 40.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.405 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -141.45 132.46 26.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.08 0.467 . . . . 0.0 111.64 -179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.87 ' HB2' HG22 ' A' ' 123' ' ' VAL . 23.9 p90 -168.96 112.12 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.419 179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.3 m -70.34 137.18 50.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.571 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 81' ' ' VAL . 17.5 mt -110.8 111.5 36.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.876 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.6 p -70.7 -25.21 62.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.073 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -70.08 -18.34 63.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.412 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.653 HD21 HG23 ' A' ' 40' ' ' THR . 0.4 OUTLIER -99.98 99.37 9.06 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 120.644 0.259 . . . . 0.0 111.012 -179.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -72.28 123.94 9.56 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.571 2.181 . . . . 0.0 112.312 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.29 93.89 4.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.25 -175.4 3.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.839 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -33.85 74.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -62.82 -39.29 93.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.764 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.532 HD11 ' HG3' ' A' ' 36' ' ' LYS . 33.5 mm -67.31 -14.36 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.384 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.25 30.47 2.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.82 0.343 . . . . 0.0 111.136 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -169.46 98.69 0.49 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.805 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -49.32 -25.76 10.5 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.53 2.153 . . . . 0.0 112.502 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 28.1 t -57.41 -29.01 63.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.996 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.5 p -79.62 166.72 21.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 16.4 m -83.08 -29.25 28.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.047 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.532 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.8 tptm -57.67 -32.39 67.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -76.91 -41.8 42.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -71.57 -35.48 70.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.969 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mt-30 -69.93 -49.74 48.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.653 HG23 HD21 ' A' ' 23' ' ' LEU . 62.5 m -67.53 -31.1 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.948 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tttp -73.13 -33.38 65.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.51 -37.87 20.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.946 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 31.8 t -59.78 -52.31 66.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.994 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 58.8 mt -64.59 -46.66 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.025 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -59.23 -31.22 68.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.772 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -72.47 -35.16 68.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.849 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.004 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -71.65 -37.78 70.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.422 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 13.3 mt -67.7 -37.04 81.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.839 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.75 -58.54 8.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.0 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -59.73 -31.33 69.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' O ' ' HE3' ' A' ' 106' ' ' MET . 6.6 tt -60.17 -42.56 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.838 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.508 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 6.4 m-85 -68.57 -39.34 81.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.46 -25.63 65.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.9 m-80 -90.51 -28.05 18.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.6 p -63.09 173.03 1.54 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.059 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 6.7 t -75.12 -24.19 58.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.038 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 42.7 pt -94.24 47.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.07 0.462 . . . . 0.0 110.991 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 pttt -89.91 22.98 2.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.42 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.65 -30.45 4.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.72 0.295 . . . . 0.0 111.284 -179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.42 ' CD1' ' HA ' ' A' ' 91' ' ' ALA . 32.8 m-85 -104.78 -32.2 8.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.29 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.508 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.8 t80 -56.35 140.93 43.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.028 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.6 t -106.84 -71.12 0.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.1 173.98 5.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.02 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.5 132.63 55.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -107.84 103.55 12.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 66' ' ' VAL . 8.5 p -71.43 104.2 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 38.8 mt -59.84 -66.49 0.51 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -165.49 176.18 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -103.36 114.39 28.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.08 144.44 42.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 t -93.2 177.18 6.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.561 HG21 ' HB2' ' A' ' 78' ' ' HIS . 6.4 m -149.11 145.06 18.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.094 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 37.6 t -83.21 174.42 10.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.06 -77.56 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.767 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.537 ' O ' HG23 ' A' ' 72' ' ' VAL . 5.9 t30 -103.74 120.41 40.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.711 179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -97.11 37.77 1.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -105.14 -24.46 12.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.561 ' HB2' HG21 ' A' ' 72' ' ' VAL . 20.6 m170 -84.39 170.94 13.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.874 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 84.4 m -158.73 114.67 2.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.08 114.03 4.37 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 20' ' ' ILE . 27.5 t -84.59 97.32 5.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.697 0.284 . . . . 0.0 111.18 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -89.84 86.09 6.56 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.688 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.59 -175.89 2.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.767 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -138.06 111.83 8.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.092 -179.776 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.784 ' SG ' HD13 ' A' ' 16' ' ' LEU . 3.9 m -70.18 70.71 0.39 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.33 179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -70.73 151.24 45.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.249 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.512 ' CE1' HD11 ' A' ' 99' ' ' ILE . 9.3 m-85 -125.53 179.09 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.949 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.13 165.74 13.98 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.784 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.67 -28.2 80.6 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.507 2.138 . . . . 0.0 112.139 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -70.85 -28.53 64.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.42 ' HA ' ' CD1' ' A' ' 60' ' ' TYR . . . -58.85 154.29 15.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.188 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.02 151.6 0.84 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.798 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? 60.4 29.69 19.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.447 HG11 ' CZ ' ' A' ' 87' ' ' PHE . 32.7 t -84.1 125.35 40.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -100.32 171.85 7.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -74.51 -46.32 40.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.783 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.643 HG12 ' HG3' ' A' ' 101' ' ' GLU . 19.5 t -58.91 -27.44 35.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.314 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.6 -62.67 1.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.318 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.758 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.7 mt -69.3 -24.63 27.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.064 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.852 ' CE2' HD11 ' A' ' 104' ' ' LEU . 51.8 t80 -74.07 -40.82 62.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.963 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.643 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.0 mt-10 -71.55 -52.47 18.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.136 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.43 -28.93 60.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 48.6 t80 -75.64 -46.08 33.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.99 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.852 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.2 mt -57.57 -50.43 73.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.17 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -54.84 -53.2 58.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.105 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 4.6 tpp -64.2 -26.92 68.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.047 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.697 HG22 HD23 ' A' ' 113' ' ' LEU . 51.4 p -96.35 23.1 7.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.219 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 4.7 t60 54.11 69.85 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.239 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.7 m120 59.73 35.16 22.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.587 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 58.61 55.67 29.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.485 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.0 p -133.58 -45.69 0.81 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.811 0.339 . . . . 0.0 111.052 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -132.11 114.87 15.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.056 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.8 tm? -90.46 96.05 10.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.538 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.004 HD12 ' HB1' ' A' ' 47' ' ' ALA . 81.1 mt 62.19 -79.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.931 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 2.2 m-80 -138.85 31.87 2.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.839 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.6 m-85 -142.0 103.87 4.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 67.8 p -68.56 118.62 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.772 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.67 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.0 pp -129.29 159.76 35.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.938 0.399 . . . . 0.0 110.944 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.655 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.2 OUTLIER -66.26 163.31 18.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.064 -179.751 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.66 -38.73 5.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.787 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -69.73 -18.58 63.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -83.41 -32.63 26.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.776 0.322 . . . . 0.0 111.066 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.87 HG22 ' HB2' ' A' ' 18' ' ' PHE . 26.0 t -59.14 136.54 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.155 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -174.1 127.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 125' ' ' VAL . 12.4 p -114.64 111.61 36.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.047 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -114.4 163.18 15.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.09 105.7 2.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.2 165.28 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.483 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.41 135.76 71.9 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.608 2.205 . . . . 0.0 112.192 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 24.6 p -162.91 162.86 26.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.816 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 4.2 p -158.89 31.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.558 -179.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.143 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -90.95 -74.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.913 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.21 91.1 0.05 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.862 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.61 -153.69 15.71 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.506 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.0 m -159.17 36.86 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.774 0.321 . . . . 0.0 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 60.84 88.21 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.0 -119.6 1.05 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -131.52 134.97 46.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 m -152.25 -168.51 3.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.963 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.43 105.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.6 t -135.36 -169.58 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.93 157.9 41.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.993 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.857 ' HB3' HD11 ' A' ' 84' ' ' LEU . 40.2 m-70 -142.38 158.61 43.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.539 ' HB3' HG22 ' A' ' 125' ' ' VAL . 78.3 m-85 -145.8 118.92 8.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.761 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -57.81 118.17 5.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.425 -179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.826 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.0 tp -97.55 121.94 40.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.519 179.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -139.65 138.03 35.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.993 0.425 . . . . 0.0 111.361 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.874 ' HB2' HG22 ' A' ' 123' ' ' VAL . 15.6 p90 -177.83 113.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.62 179.67 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.2 m -69.2 135.43 50.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.191 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.539 HD11 HG21 ' A' ' 81' ' ' VAL . 27.9 mt -104.09 98.96 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.429 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 11.0 p -53.77 -26.54 24.14 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -91.11 49.03 1.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.975 0.417 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -163.82 91.04 1.11 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.728 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.18 147.58 88.31 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.529 2.153 . . . . 0.0 112.384 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -87.57 130.73 34.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.63 161.92 34.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.846 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -30.23 68.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.52 -44.35 96.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 36' ' ' LYS . 33.8 mm -66.8 -16.79 21.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.432 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.26 -19.88 42.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.411 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -110.14 107.17 58.64 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.931 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.435 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 14.7 Cg_exo -67.7 64.46 0.87 Allowed 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.659 2.239 . . . . 0.0 112.131 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 23.1 t -162.34 -37.62 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.046 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.4 p -55.66 -177.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.172 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.485 HG22 ' HG3' ' A' ' 39' ' ' GLN . 4.5 m -82.95 -43.36 16.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.538 ' HG3' HD11 ' A' ' 29' ' ' ILE . 13.1 tptm -56.62 -38.92 72.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.006 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.435 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 22.8 t80 -66.53 -58.7 4.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -60.52 -34.12 73.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.957 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.485 ' HG3' HG22 ' A' ' 35' ' ' THR . 14.9 mt-30 -73.31 -57.34 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 87.9 m -62.08 -31.63 72.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' HE2' HG13 ' A' ' 66' ' ' VAL . 42.2 tttt -70.33 -55.63 8.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.86 -31.31 71.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.4 t -59.7 -48.1 82.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.2 mt -69.38 -41.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.969 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -60.39 -31.54 70.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -67.87 -43.92 78.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.107 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.32 -30.46 70.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 78.9 mt -72.12 -41.22 67.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.943 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -60.13 -35.19 74.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.974 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -78.2 -29.72 48.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.652 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 103' ' ' PHE . 7.0 tt -66.31 -36.95 84.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.502 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.5 m-85 -70.47 -45.7 65.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.92 -26.79 68.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.042 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.8 m-20 -96.41 -27.33 14.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.141 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 80.7 p -57.43 155.77 8.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 0.0 111.018 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.49 -28.42 69.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.425 HG23 ' OE2' ' A' ' 102' ' ' GLU . 20.9 pt -93.6 46.18 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.092 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -88.11 52.66 2.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 p -142.88 -47.43 0.32 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.691 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 86.0 m-85 -94.94 -30.55 14.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.502 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.5 t80 -64.91 123.5 19.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.35 -63.14 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -173.79 179.82 1.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.926 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.85 175.83 5.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -144.85 99.11 3.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.632 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.8 p -70.47 96.19 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 33.9 mt -59.61 -62.96 1.49 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -164.09 -168.65 1.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -125.12 133.78 52.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -94.89 154.26 17.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.9 t -97.65 167.62 10.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.761 HG21 ' HB2' ' A' ' 78' ' ' HIS . 12.1 m -141.51 138.1 32.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 m -110.45 34.11 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -104.98 -61.35 1.48 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -109.63 -20.02 12.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m120 64.89 30.0 12.23 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.818 0.342 . . . . 0.0 110.869 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -147.62 26.27 1.04 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.957 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.761 ' HB2' HG21 ' A' ' 72' ' ' VAL . 13.4 m170 -126.46 -173.79 2.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.939 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.5 m -163.62 121.25 1.84 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.8 111.09 3.2 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.413 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.539 HG21 HD11 ' A' ' 20' ' ' ILE . 40.5 t -73.62 130.38 35.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.896 0.379 . . . . 0.0 111.21 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.23 76.54 1.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.605 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.595 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -101.35 -177.88 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.081 -179.75 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.857 HD11 ' HB3' ' A' ' 13' ' ' HIS . 3.0 tm? -140.19 112.33 7.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.826 ' SG ' HD13 ' A' ' 16' ' ' LEU . 67.8 m -69.47 81.66 0.39 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.723 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.452 ' CG ' HD12 ' A' ' 84' ' ' LEU . 29.5 m-20 -74.66 142.9 44.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.443 ' CE1' HD11 ' A' ' 99' ' ' ILE . 7.7 m-85 -126.96 160.36 31.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.933 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -80.66 166.53 38.87 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.975 -179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -67.07 -27.17 42.41 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.149 . . . . 0.0 112.412 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 mp -62.0 -31.19 71.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.691 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -59.09 161.18 5.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -170.64 -42.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.999 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.59 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.34 153.76 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -142.19 156.71 45.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -59.7 -44.26 93.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 29.7 t -62.17 -29.51 46.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.89 -58.92 6.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.166 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.757 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.6 mt -63.5 -28.37 44.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.955 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.694 ' CE2' HD11 ' A' ' 104' ' ' LEU . 73.9 t80 -71.26 -45.69 62.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -68.22 -50.57 53.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.046 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.425 ' OE2' HG23 ' A' ' 57' ' ' ILE . 1.0 OUTLIER -58.46 -29.62 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.002 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.659 ' O ' HG23 ' A' ' 107' ' ' THR . 81.3 t80 -83.29 -32.43 26.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.931 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.694 HD11 ' CE2' ' A' ' 100' ' ' TYR . 14.2 mt -69.34 -46.11 67.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.47 -34.94 73.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.188 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.1 tpp -83.01 -24.74 32.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.257 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.862 HG22 HD23 ' A' ' 113' ' ' LEU . 77.9 p -95.12 29.24 2.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.175 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 53.26 61.08 3.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.957 0.408 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 61.64 26.95 16.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.957 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 74.09 37.57 49.16 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 71.1 p -116.98 -34.67 4.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.772 0.32 . . . . 0.0 111.163 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -149.07 125.37 10.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.862 HD23 HG22 ' A' ' 107' ' ' THR . 2.5 tm? -97.79 98.98 10.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.748 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.107 HD12 ' HB1' ' A' ' 47' ' ' ALA . 29.4 mt 61.58 -80.62 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.958 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -135.46 43.46 2.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -154.31 105.79 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.959 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 61.0 p -71.01 113.28 7.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.737 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.5 pp -123.01 160.24 26.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.156 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.732 ' O ' HD12 ' A' ' 118' ' ' LEU . 3.3 t70 -58.65 175.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.071 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 12.0 ttp85 -109.67 -64.24 1.27 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.853 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -56.41 -24.7 46.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.035 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.6 t -66.1 -40.96 91.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.821 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.874 HG22 ' HB2' ' A' ' 18' ' ' PHE . 30.6 t -60.92 135.88 25.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.959 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 7.2 t80 -174.0 136.14 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.568 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -128.5 137.81 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.02 -179.04 6.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.946 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 72.7 p -73.23 103.39 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -81.92 164.3 44.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.524 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.79 -160.93 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.634 2.223 . . . . 0.0 112.31 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 30.8 t -155.9 -73.43 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 29.8 t -90.85 -53.37 4.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.807 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.467 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.163 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 t -70.38 178.93 2.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.825 0.345 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -152.15 97.01 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.97 -28.44 72.78 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.578 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.86 -53.86 52.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 111.007 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 m -79.22 -35.71 41.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.856 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.13 -49.54 2.45 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.39 -65.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.783 0.325 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.5 m -130.1 145.35 51.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.9 30.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.1 p -116.46 175.35 5.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.39 142.43 34.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.4 ' CE1' ' OD1' ' A' ' 86' ' ' ASN . 10.4 m170 -121.12 111.28 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.885 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.414 ' CD1' ' HA ' ' A' ' 127' ' ' SER . 35.2 m-85 -104.95 126.76 52.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.849 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.614 ' HA ' HD22 ' A' ' 84' ' ' LEU . 9.5 m120 -68.61 111.36 4.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.96 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.83 HD13 ' SG ' ' A' ' 85' ' ' CYS . 27.8 tp -91.27 135.86 33.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.684 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -154.11 128.32 9.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.916 0.388 . . . . 0.0 111.339 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.3 p90 -165.97 113.01 0.9 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.717 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -69.36 134.53 49.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.182 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.747 HD11 HG21 ' A' ' 81' ' ' VAL . 16.1 mt -105.97 102.74 14.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.939 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.538 HG22 ' CD2' ' A' ' 78' ' ' HIS . 7.9 p -57.93 -30.04 65.62 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.17 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -71.18 -50.16 36.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.623 HD11 HG21 ' A' ' 40' ' ' THR . 0.4 OUTLIER -73.12 112.45 15.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.928 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.2 -178.97 4.8 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.426 2.084 . . . . 0.0 112.278 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.674 ' HD2' HG23 ' A' ' 79' ' ' THR . 1.5 t80 -137.36 115.1 11.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.4 t -121.68 -175.78 3.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 -60.63 -31.94 71.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.495 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.2 m-20 -61.6 -47.17 86.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.445 HD11 ' HG3' ' A' ' 36' ' ' LYS . 34.1 mm -61.45 -16.33 14.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.53 -24.7 25.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.646 0.26 . . . . 0.0 111.325 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -113.8 115.66 46.01 Favored Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.067 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.456 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 39.7 Cg_exo -60.54 -19.16 58.32 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.52 2.147 . . . . 0.0 112.643 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -67.3 -32.06 72.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.357 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.495 HG21 ' HA ' ' A' ' 28' ' ' ASP . 49.8 p -69.56 167.17 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.04 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -83.09 -33.75 26.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.075 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.445 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -56.31 -30.24 62.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.997 -179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.456 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 36.1 t80 -76.34 -56.52 4.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.929 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -60.2 -31.27 69.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.932 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -72.37 -60.65 2.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.959 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.623 HG21 HD11 ' A' ' 23' ' ' LEU . 8.5 m -59.54 -30.4 68.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.047 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HD2' ' CE1' ' A' ' 37' ' ' TYR . 59.9 tttt -69.9 -40.98 75.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 ttp180 -81.32 -29.92 34.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.1 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -50.32 71.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.972 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 52.8 mt -67.85 -42.97 86.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.97 -30.88 68.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -74.17 -42.13 60.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.05 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -64.27 -49.89 70.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 84.6 mt -60.04 -29.98 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.008 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -59.4 -61.49 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.082 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -57.82 -29.92 65.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.577 HD12 HD21 ' A' ' 113' ' ' LEU . 4.8 tt -61.76 -37.92 86.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.848 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.499 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 7.9 m-85 -67.85 -39.73 83.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.4 mtp180 -74.99 -12.26 60.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.391 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 45.6 m-20 -104.31 -29.71 10.6 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.79 0.329 . . . . 0.0 111.003 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.7 p -59.0 153.54 17.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.936 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.1 t -58.65 -26.72 64.05 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.2 pt -94.31 47.48 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.4 26.97 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.298 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.413 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.3 OUTLIER -122.16 24.09 9.61 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.799 0.333 . . . . 0.0 110.766 179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 33.5 m-85 -162.28 -42.84 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -52.77 114.18 1.33 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.059 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.61 -64.59 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -166.54 -176.01 3.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 45.2 t -124.33 156.49 36.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 32.5 tt0 -128.09 105.12 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 66' ' ' VAL . 10.7 p -74.61 112.11 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 49.3 mt -71.4 -67.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.013 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -163.98 -173.91 3.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.156 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -121.15 125.74 47.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.49 112.6 24.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.891 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.423 ' HA ' ' CD2' ' A' ' 25' ' ' TYR . 14.8 t -71.18 115.04 9.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.805 HG21 ' HB2' ' A' ' 78' ' ' HIS . 8.2 m -65.76 -20.35 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.334 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 5.5 p 64.52 -169.05 0.2 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.908 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.0 m-80 63.29 -79.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -106.77 121.1 43.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -78.54 90.49 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -166.0 -43.94 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.805 ' HB2' HG21 ' A' ' 72' ' ' VAL . 3.5 m170 -86.27 166.13 15.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.764 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 25' ' ' TYR . 91.4 m -163.97 115.37 1.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.052 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.2 110.01 2.99 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.324 179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.747 HG21 HD11 ' A' ' 20' ' ' ILE . 46.9 t -86.49 102.78 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.767 0.318 . . . . 0.0 111.328 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -87.21 87.83 7.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.366 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.545 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.78 -174.97 2.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.259 -179.462 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.614 HD22 ' HA ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -141.24 108.08 5.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.968 -179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.83 ' SG ' HD13 ' A' ' 16' ' ' LEU . 51.0 m -70.32 91.34 0.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 48.3 m-20 -89.13 144.6 26.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.914 0.388 . . . . 0.0 111.376 -179.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.498 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 14.9 m-85 -129.56 172.13 11.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.85 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.51 166.55 35.68 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -71.29 -28.16 18.73 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.534 2.156 . . . . 0.0 112.271 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.23 -31.21 68.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -78.85 136.98 37.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.073 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.87 32.23 0.77 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.962 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.86 44.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.4 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 22.0 t -108.63 103.5 15.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -82.25 158.34 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.429 ' HB2' HG13 ' A' ' 125' ' ' VAL . 12.8 ptt85 -60.06 -31.31 69.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.419 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -68.54 -29.82 45.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.185 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.49 -60.6 3.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.159 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.767 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.9 mt -65.99 -25.87 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.062 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.406 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 48.6 t80 -72.79 -43.76 62.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.419 ' HG3' HG12 ' A' ' 97' ' ' VAL . 4.6 mt-10 -74.23 -35.18 63.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.077 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -53.08 17.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.446 ' O ' HG23 ' A' ' 107' ' ' THR . 54.0 t80 -58.76 -28.45 65.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.084 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 120' ' ' ARG . 68.7 mt -85.66 -22.23 28.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.276 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -30.75 33.9 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.194 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.431 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.3 ttp -89.52 -20.1 24.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.38 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.653 HG22 HD23 ' A' ' 113' ' ' LEU . 67.7 p -95.64 31.42 2.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.731 0.301 . . . . 0.0 111.167 -179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . 0.405 ' O ' HG23 ' A' ' 111' ' ' THR . 0.3 OUTLIER 53.79 53.78 10.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.909 0.385 . . . . 0.0 110.847 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.62 38.32 5.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.677 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.09 38.06 94.9 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.412 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.405 HG23 ' O ' ' A' ' 108' ' ' HIS . 81.1 p -109.02 -42.4 4.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.702 0.287 . . . . 0.0 111.105 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 52.4 tt0 -147.14 118.55 7.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.323 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.758 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.8 tm? -91.35 99.34 12.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.442 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.05 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.4 mt 62.28 -77.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.99 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 113' ' ' LEU . 47.5 m-80 -138.91 38.83 2.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.981 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -150.17 119.26 6.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.008 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 75.1 p -80.05 119.23 22.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.11 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.701 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.8 pp -135.51 160.09 39.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.789 179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.401 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.5 OUTLIER -75.7 144.26 41.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.187 -179.722 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.677 ' HG3' HD22 ' A' ' 104' ' ' LEU . 4.3 ttt180 -88.94 -41.85 12.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.81 -32.18 73.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 61.6 p -71.48 -26.73 62.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.083 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' A' ' 18' ' ' PHE . 19.2 t -59.17 150.54 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.089 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.4 t80 -174.12 141.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.798 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 125' ' ' VAL . 14.7 p -138.72 122.58 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.236 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -109.44 162.55 14.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 33.2 t -83.91 116.58 22.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.863 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -62.16 -63.06 5.04 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.491 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.01 103.61 0.91 Allowed 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.659 2.239 . . . . 0.0 112.244 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.5 p -171.75 82.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 81.1 p -149.92 103.93 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.49 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.2 p -110.76 37.96 2.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.818 0.342 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 p -91.25 93.76 9.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.44 72.52 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.439 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.6 t -113.23 173.19 6.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.17 102.54 4.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.92 115.05 1.37 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.36 -179.43 5.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 110.884 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.2 t 60.64 168.14 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 62.57 118.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m 61.04 160.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -144.65 157.44 44.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.005 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.654 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.4 m-70 -137.94 112.54 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.761 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' O ' HD13 ' A' ' 84' ' ' LEU . 27.9 m-85 -106.34 117.36 33.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.938 0.399 . . . . 0.0 110.929 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.724 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.3 m120 -59.0 108.03 0.61 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.577 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.772 HD13 ' SG ' ' A' ' 85' ' ' CYS . 17.3 tp -87.62 129.9 34.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.314 179.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -148.4 141.05 24.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.003 0.43 . . . . 0.0 111.52 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.834 ' HB2' HG22 ' A' ' 123' ' ' VAL . 34.5 p90 -178.81 113.01 0.06 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.607 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.4 m -69.93 131.11 43.9 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.249 -179.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 44.9 mt -94.07 101.69 12.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.961 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 70.7 p -55.35 -27.78 49.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.34 58.99 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.949 0.404 . . . . 0.0 110.91 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -162.29 89.35 1.39 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.92 157.57 10.29 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.476 2.117 . . . . 0.0 112.307 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -116.01 82.81 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.889 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.4 p -92.64 174.56 7.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -60.0 -28.95 68.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.784 ' HA ' HG21 ' A' ' 34' ' ' THR . 88.0 m-20 -58.21 -50.07 74.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 39.6 mm -61.06 -29.12 45.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.37 -24.43 66.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.249 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -130.12 117.58 18.1 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -55.64 -21.8 33.16 Favored 'Trans proline' 0 C--N 1.347 0.483 0 C-N-CA 122.416 2.078 . . . . 0.0 112.433 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.7 t -51.84 -29.54 19.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.171 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.784 HG21 ' HA ' ' A' ' 28' ' ' ASP . 42.3 p -82.19 165.26 20.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 m -81.52 -29.18 33.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.022 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 24.8 tttt -56.74 -28.25 60.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.062 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -84.71 -46.25 11.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -66.13 -30.88 71.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.018 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -72.28 -55.5 7.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.984 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.692 HG22 HD11 ' A' ' 44' ' ' ILE . 26.0 m -59.08 -38.63 79.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.021 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 44.4 tttm -59.82 -51.26 70.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.001 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.6 -38.46 84.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.048 -179.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.433 ' HG ' ' HE1' ' A' ' 116' ' ' PHE . 13.3 t -59.55 -48.5 81.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.074 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.692 HD11 HG22 ' A' ' 40' ' ' THR . 14.5 mt -70.6 -51.7 35.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.297 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -57.25 -32.56 66.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.095 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -76.22 -38.55 56.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.949 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.934 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.74 -36.09 82.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.153 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 63.3 mt -72.55 -31.07 64.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -59.05 -61.88 2.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -58.53 -30.15 66.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.034 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.445 ' O ' HD23 ' A' ' 51' ' ' LEU . 6.7 tt -65.55 -30.88 71.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.054 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.498 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 19.5 m-85 -72.61 -39.3 67.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -73.32 -19.14 61.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.235 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -107.23 34.66 3.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.77 0.319 . . . . 0.0 111.055 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -129.82 169.16 15.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.59 -30.01 70.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.029 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 37.8 pt -98.57 49.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -93.52 38.55 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 16.1 t -135.9 -46.94 0.66 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.846 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.484 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 33.5 m-85 -85.53 -31.01 22.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.498 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -64.68 123.61 19.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.0 t -88.81 -63.2 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -174.45 -177.53 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -114.46 156.28 24.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -135.67 93.17 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.8 p -65.69 103.5 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 27.4 mt -60.49 -66.29 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.97 -174.26 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.07 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.511 ' HB3' HG23 ' A' ' 79' ' ' THR . 59.5 m-85 -112.32 116.51 30.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.933 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -77.75 144.49 37.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.75 137.01 47.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.971 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.775 HG23 ' O ' ' A' ' 75' ' ' ASN . 4.6 m -100.46 143.25 14.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.083 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.3 m -82.31 -29.71 30.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -67.53 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.969 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.775 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.7 OUTLIER -120.02 144.17 47.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.79 31.03 3.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.927 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -126.92 18.8 7.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.192 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 67.1 m170 -122.4 -178.12 3.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.792 0.33 . . . . 0.0 110.812 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 69' ' ' PHE . 68.0 m -162.25 103.88 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.71 98.18 0.75 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -61.49 132.53 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.926 0.394 . . . . 0.0 111.051 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -122.41 79.15 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.433 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.426 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -105.48 175.27 5.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.03 -179.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.724 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -134.48 114.01 12.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.849 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.772 ' SG ' HD13 ' A' ' 16' ' ' LEU . 7.8 m -65.27 81.36 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.393 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.4 ' OD1' ' CE1' ' A' ' 13' ' ' HIS . 17.5 m-20 -70.83 128.14 35.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.621 ' CE1' HD11 ' A' ' 99' ' ' ILE . 5.8 m-85 -116.77 150.26 38.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.21 165.67 45.91 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.823 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.29 -33.71 89.09 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.466 2.111 . . . . 0.0 112.157 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 mp -60.7 -27.24 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.484 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.31 158.41 5.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.224 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.2 tpp85 -176.66 -39.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.8 55.64 3.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.528 HG21 ' CE2' ' A' ' 87' ' ' PHE . 5.3 t -139.11 135.45 41.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.928 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.41 ' O ' ' CE1' ' A' ' 14' ' ' PHE . 4.8 m-20 -119.41 -62.47 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.015 0.436 . . . . 0.0 111.044 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 14.3 ptt180 179.93 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.82 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.566 HG12 ' HG3' ' A' ' 101' ' ' GLU . 26.7 t -61.4 -26.93 40.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.44 -62.99 1.44 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.621 HD11 ' CE1' ' A' ' 87' ' ' PHE . 11.0 mt -64.71 -23.9 34.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.141 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.651 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 50.3 t80 -76.92 -45.32 28.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.566 ' HG3' HG12 ' A' ' 97' ' ' VAL . 2.3 mt-10 -73.49 -44.96 56.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -58.44 -37.51 75.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.77 ' CZ ' HG21 ' A' ' 107' ' ' THR . 75.5 t80 -73.53 -46.13 49.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.78 HD23 ' HA3' ' A' ' 110' ' ' GLY . 9.9 mt -60.01 -34.36 73.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.044 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 4.3 ttm-85 -71.18 -29.7 65.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.093 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.41 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 1.6 tpp -91.18 -25.53 19.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.261 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.77 HG21 ' CZ ' ' A' ' 103' ' ' PHE . 21.2 p -95.25 20.79 8.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.255 -179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 52.79 77.86 0.15 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.889 0.376 . . . . 0.0 111.138 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 58.13 27.01 14.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.78 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 59.12 50.11 71.32 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.477 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 52.4 p -125.16 -38.84 2.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.757 0.313 . . . . 0.0 111.157 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.712 ' HG3' HG22 ' A' ' 117' ' ' THR . 5.1 tt0 -129.62 104.27 7.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.182 -179.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.774 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.2 tm? -82.51 94.61 7.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.578 179.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.934 HD12 ' HB1' ' A' ' 47' ' ' ALA . 24.5 mt 62.01 -80.42 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.828 -179.596 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' LEU . 6.9 m120 -120.29 -38.51 2.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.433 ' HE1' ' HG ' ' A' ' 43' ' ' SER . 39.8 m-85 -76.74 127.28 32.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.975 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.712 HG22 ' HG3' ' A' ' 112' ' ' GLN . 81.9 p -90.98 118.32 30.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.734 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.77 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -128.1 160.44 31.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.183 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.729 ' O ' HD12 ' A' ' 118' ' ' LEU . 5.2 t0 -64.79 178.25 0.82 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.158 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.85 -41.98 2.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -32.3 70.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 42.9 t -75.87 -30.95 59.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.834 HG22 ' HB2' ' A' ' 18' ' ' PHE . 28.3 t -64.34 132.28 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 125' ' ' VAL . 49.0 t80 -174.02 163.3 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.536 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -150.25 129.5 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.017 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -119.37 178.51 4.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 66.4 m -82.95 116.12 22.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.797 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.408 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -59.04 -62.75 5.87 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.612 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.408 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 14.1 Cg_endo -57.16 -71.05 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.628 2.219 . . . . 0.0 112.333 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.7 -62.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.983 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 40.2 t 61.63 78.61 0.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.137 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.02 85.63 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.38 138.79 3.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.9 -112.92 0.55 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.527 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.4 p -123.48 114.75 20.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.75 0.31 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.2 t 67.81 -69.56 0.14 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.033 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.18 -65.99 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 61.5 m -62.44 -44.31 96.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.77 136.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.961 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 41.8 m -131.88 158.19 42.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.991 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 31.8 p -79.1 -170.1 2.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.572 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -152.11 135.66 16.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.019 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.404 ' HB3' HD11 ' A' ' 84' ' ' LEU . 27.8 m170 -126.61 114.39 18.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.835 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.411 ' CE1' ' HB3' ' A' ' 96' ' ' ARG . 43.9 m-85 -110.35 122.16 47.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.934 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.718 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.2 t-20 -63.12 122.57 16.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.057 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.792 HD13 ' SG ' ' A' ' 85' ' ' CYS . 22.9 tp -106.13 113.38 26.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.662 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -135.9 144.6 45.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.017 0.437 . . . . 0.0 111.346 -179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.775 ' CD2' HD22 ' A' ' 118' ' ' LEU . 24.6 p90 -178.38 121.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.52 179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 63.6 m -74.24 135.77 42.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.317 -179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.77 HG22 ' H ' ' A' ' 22' ' ' ASN . 18.2 mt -101.84 142.44 16.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.924 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.456 HG22 ' CD2' ' A' ' 78' ' ' HIS . 44.3 p -108.05 23.03 15.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.096 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.77 ' H ' HG22 ' A' ' 20' ' ' ILE . 1.3 t30 -119.47 -30.65 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.038 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.15 105.75 15.08 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.973 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.17 114.01 3.86 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.412 2.075 . . . . 0.0 112.311 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.422 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 24.6 t80 -62.06 123.14 17.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.968 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.44 178.88 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -59.67 -30.95 69.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.64 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.0 OUTLIER -62.17 -48.33 80.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.034 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.435 HD11 ' HG3' ' A' ' 36' ' ' LYS . 31.7 mm -69.83 -12.78 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.59 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.06 -17.59 34.74 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.639 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.441 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 9.8 mt-30 -126.66 117.61 22.7 Favored Pre-proline 0 C--N 1.331 -0.221 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.921 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 31' ' ' GLN . 14.3 Cg_exo -68.12 62.55 1.02 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.589 2.192 . . . . 0.0 112.131 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 t -148.31 -40.83 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.64 HG21 ' HA ' ' A' ' 28' ' ' ASP . 78.3 p -61.17 177.39 0.35 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.029 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.6 m -83.06 -38.52 22.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.435 ' HG3' HD11 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -58.55 -38.85 78.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.104 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.434 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 33.2 t80 -59.82 -48.83 80.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -73.5 -35.77 65.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.821 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -57.16 13.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.829 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.435 HG22 ' CZ ' ' A' ' 69' ' ' PHE . 62.6 m -62.2 -40.88 97.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.71 ' HG2' HG11 ' A' ' 66' ' ' VAL . 63.7 tttt -58.86 -37.28 76.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.09 -32.17 22.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.861 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -47.02 87.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.826 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.8 mt -71.08 -44.89 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -59.35 -32.2 69.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.754 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -76.05 -40.76 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.778 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.0 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -68.39 -38.98 81.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 88.1 mt -71.59 -31.85 67.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.83 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -60.38 -58.46 8.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -60.61 -31.47 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.759 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' ' HE3' ' A' ' 106' ' ' MET . 3.9 tt -60.8 -35.5 76.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CD1' ' CZ ' ' A' ' 61' ' ' PHE . 10.3 m-85 -72.69 -36.88 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.88 -29.06 63.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -92.42 -25.32 18.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.144 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.488 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 71.3 p -56.16 170.33 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.8 m -74.68 -29.65 61.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.411 HD12 ' CZ ' ' A' ' 87' ' ' PHE . 20.0 pt -93.81 45.95 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.031 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.9 pttm -89.46 51.27 2.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.46 -45.56 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.009 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.508 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 36.8 m-85 -111.05 24.04 13.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.171 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CD1' ' A' ' 52' ' ' PHE . 3.1 t80 -105.75 123.97 48.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.882 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.7 m -86.41 -74.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -169.75 -176.04 2.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 13.3 p -103.37 -179.05 3.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.814 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -154.94 88.04 1.16 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.71 HG11 ' HG2' ' A' ' 41' ' ' LYS . 8.3 p -64.64 104.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.003 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 36.5 mt -67.07 -63.84 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -166.34 -172.65 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.164 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.435 ' CZ ' HG22 ' A' ' 40' ' ' THR . 80.6 m-85 -116.48 130.81 56.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.933 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.42 119.26 39.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.888 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 40.0 t -73.63 127.78 33.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 78' ' ' HIS . 31.3 m -76.28 166.77 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.112 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.8 t -130.85 78.66 1.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -162.86 -59.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -110.87 -17.74 13.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 m120 64.53 31.2 12.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.847 0.356 . . . . 0.0 110.821 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -128.6 -46.21 1.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.729 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.505 ' HB2' HG21 ' A' ' 72' ' ' VAL . 24.1 m170 -63.8 172.19 2.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.803 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 75.0 m -146.12 128.49 15.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -85.23 119.94 5.18 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.439 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 20' ' ' ILE . 47.9 t -94.61 126.58 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 0.0 111.172 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 84.14 1.97 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.487 179.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.0 p -106.44 -177.68 3.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.149 -179.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.718 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.8 OUTLIER -135.76 119.16 16.81 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.861 -179.819 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.792 ' SG ' HD13 ' A' ' 16' ' ' LEU . 1.7 m -84.9 79.14 9.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.651 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.439 ' CG ' HD12 ' A' ' 84' ' ' LEU . 59.5 m-80 -72.18 155.75 39.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.411 ' CZ ' HD12 ' A' ' 57' ' ' ILE . 12.4 m-85 -136.28 168.55 19.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.942 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 154.94 88.79 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.065 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.32 -28.04 15.59 Favored 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.62 2.213 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.8 mp -60.36 -45.57 93.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.572 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -59.57 -179.12 0.08 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.213 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -177.6 -37.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -90.48 49.04 1.62 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.162 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CE2' ' A' ' 14' ' ' PHE . 46.5 t -106.75 102.57 14.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.745 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -75.56 154.8 36.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.025 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.411 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.9 ptp180 -61.45 -41.36 97.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.761 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.7 t -57.24 -26.51 25.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.259 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -58.52 -54.72 43.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.208 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.735 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.5 mt -67.38 -21.8 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.204 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.664 ' HB2' HG12 ' A' ' 125' ' ' VAL . 52.3 t80 -81.86 -44.13 17.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.988 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.761 ' HG3' HG12 ' A' ' 97' ' ' VAL . 5.0 mt-10 -66.66 -50.73 61.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.33 -179.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -63.72 -38.26 90.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.251 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 107' ' ' THR . 85.2 t80 -65.13 -34.23 77.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.094 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.592 HD11 ' CE2' ' A' ' 100' ' ' TYR . 16.5 mt -75.31 -30.61 60.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.033 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -28.75 66.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.046 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.488 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 0.9 OUTLIER -92.51 -23.34 19.13 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.314 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.614 HG22 HD23 ' A' ' 113' ' ' LEU . 69.5 p -95.77 23.65 6.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.257 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 52.47 65.23 1.57 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.96 0.41 . . . . 0.0 111.065 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 46.3 t30 61.85 30.38 18.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.791 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 65.19 56.62 14.78 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 48.8 p -128.67 -44.85 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 111.105 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 45.6 tt0 -132.39 116.28 16.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.726 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.3 tm? -94.24 91.65 6.85 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.704 179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.0 HD12 ' HB1' ' A' ' 47' ' ' ALA . 36.8 mt 61.05 -80.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.132 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -133.33 37.69 3.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.823 0.344 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -153.47 111.02 3.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 40.1 p -75.15 120.81 21.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.775 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -134.5 159.08 42.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.634 ' O ' HD12 ' A' ' 118' ' ' LEU . 1.5 t0 -70.36 162.23 28.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.218 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 43.3 ttp180 -94.3 -45.25 7.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -58.14 -34.25 70.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.938 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.7 p -69.14 -30.49 68.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 119' ' ' ASP . 27.6 t -67.09 134.85 29.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -173.68 153.8 2.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.664 HG12 ' HB2' ' A' ' 100' ' ' TYR . 14.2 p -140.77 118.0 8.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.98 165.81 16.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.987 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 95.9 p -68.08 114.52 6.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.407 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -53.04 -61.59 6.77 Favored Glycine 0 CA--C 1.519 0.296 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.832 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.407 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 29.6 Cg_endo -63.33 112.02 1.61 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.513 2.142 . . . . 0.0 112.36 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -147.97 -52.93 0.19 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 43.2 p -164.35 132.94 3.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.462 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.76 -70.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.704 0.288 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -115.57 -65.71 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.81 -105.66 2.97 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.51 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.1 m 63.07 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 0.0 110.993 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -66.66 177.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.6 59.95 0.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.2 m -91.53 -44.97 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -123.88 44.31 2.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.3 m -136.84 105.28 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 m 61.86 172.37 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.947 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -135.07 153.49 52.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.045 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.671 ' HB3' HD11 ' A' ' 84' ' ' LEU . 12.8 m-70 -124.58 106.03 9.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.736 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -95.29 107.79 19.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.905 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.426 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.2 t-20 -54.26 112.61 1.01 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' SG ' ' A' ' 85' ' ' CYS . 14.2 tp -98.69 127.46 44.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.686 179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -146.85 137.53 23.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.154 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.756 ' CD2' HD22 ' A' ' 118' ' ' LEU . 16.6 p90 -169.59 126.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.8 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.3 m -71.15 130.51 41.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.198 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.503 HD11 HG21 ' A' ' 81' ' ' VAL . 54.2 mt -107.77 102.21 13.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.999 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.429 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 31.1 p -60.86 -24.13 65.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.181 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.1 t30 -88.37 53.65 2.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.403 ' HA ' HD22 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -172.59 96.05 0.37 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.87 129.13 17.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.424 2.083 . . . . 0.0 112.284 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.566 ' CD1' HG23 ' A' ' 79' ' ' THR . 4.9 t80 -80.17 117.95 21.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.14 176.74 7.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.1 -30.99 69.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.629 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.5 m-20 -60.76 -49.93 75.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.932 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.618 HD11 ' HG2' ' A' ' 36' ' ' LYS . 40.1 mm -64.81 -21.87 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.288 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.17 31.07 2.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.834 0.35 . . . . 0.0 111.121 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -163.91 100.21 0.93 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 76.8 Cg_exo -50.34 -25.06 12.96 Favored 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.435 2.09 . . . . 0.0 112.46 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.7 t -56.67 -29.03 61.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.978 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.629 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.2 p -83.95 165.22 18.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -83.06 -30.22 28.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.011 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.618 ' HG2' HD11 ' A' ' 29' ' ' ILE . 40.0 tttt -56.72 -28.47 61.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.058 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.449 ' CE2' ' HE3' ' A' ' 41' ' ' LYS . 88.4 t80 -67.57 -53.53 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.97 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -71.49 -30.66 66.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.0 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.21 -65.43 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.949 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.9 m -59.74 -30.64 68.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.652 ' CG ' HG11 ' A' ' 66' ' ' VAL . 17.1 ttmm -64.11 -59.68 4.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -61.14 -31.26 70.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.01 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.82 -42.19 97.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.049 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.703 HG22 HD12 ' A' ' 48' ' ' LEU . 10.0 mt -74.06 -48.51 37.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.143 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.456 ' OE2' HG12 ' A' ' 66' ' ' VAL . 1.8 mt-10 -58.16 -40.3 81.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 50.8 t30 -68.11 -47.75 67.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.008 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.29 -38.91 91.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.703 HD12 HG22 ' A' ' 44' ' ' ILE . 25.5 mt -70.88 -30.8 67.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.989 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -58.72 -64.05 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.99 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -59.41 -27.73 66.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.12 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 tt -58.05 -53.2 60.96 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.058 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 8.8 m-85 -59.68 -42.74 93.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 85.8 mtm180 -66.97 -15.41 63.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.351 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 18.3 m-20 -105.41 -28.93 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.762 0.315 . . . . 0.0 111.103 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.509 ' N ' ' HE1' ' A' ' 106' ' ' MET . 51.7 p -58.01 -167.24 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.4 t -96.6 28.52 3.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.913 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 29.8 pt -151.96 49.12 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.959 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.09 34.07 1.29 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.94 -39.59 2.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.832 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.782 ' CG ' ' HB2' ' A' ' 91' ' ' ALA . 7.4 m-85 -104.03 -33.15 8.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 1.1 t80 -60.03 131.36 50.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 35.6 t -100.37 -60.64 1.49 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -177.28 -177.13 0.69 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -116.59 150.78 37.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.784 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -121.3 100.77 7.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.652 HG11 ' CG ' ' A' ' 41' ' ' LYS . 9.8 p -69.7 116.13 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.5 mt -79.89 -65.94 0.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.07 -170.79 1.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.151 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -121.97 134.76 54.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.967 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -102.54 161.29 13.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 41.9 t -106.65 133.67 50.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.588 HG21 ' HB2' ' A' ' 78' ' ' HIS . 27.8 m -99.46 156.35 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.4 m -117.15 89.46 3.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.31 -69.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.0 -19.02 13.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.182 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.5 m120 63.49 30.19 15.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -136.89 19.18 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.088 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.588 ' HB2' HG21 ' A' ' 72' ' ' VAL . 40.4 m170 -120.34 -174.71 2.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.825 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.566 HG23 ' CD1' ' A' ' 25' ' ' TYR . 6.6 m -156.55 115.16 3.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.94 105.73 1.75 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.377 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.503 HG21 HD11 ' A' ' 20' ' ' ILE . 44.7 t -72.98 134.48 29.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.947 0.403 . . . . 0.0 111.205 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -126.68 75.54 1.56 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.395 179.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.54 -176.42 3.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.078 -179.56 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.728 HD12 ' ND2' ' A' ' 86' ' ' ASN . 2.2 tm? -139.68 115.94 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.996 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.862 ' SG ' HD13 ' A' ' 16' ' ' LEU . 17.9 m -75.04 77.88 2.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.526 179.785 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.728 ' ND2' HD12 ' A' ' 84' ' ' LEU . 9.4 m-80 -69.68 145.48 52.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.533 ' CE1' HD11 ' A' ' 99' ' ' ILE . 8.3 m-85 -132.71 -179.92 5.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.857 179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.9 m -91.85 158.83 39.3 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.977 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -69.83 -26.59 27.07 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.531 2.154 . . . . 0.0 112.36 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 mp -59.77 -36.38 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.782 ' HB2' ' CG ' ' A' ' 60' ' ' TYR . . . -76.32 177.99 6.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 ttt-85 -178.61 -38.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -91.05 50.19 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.976 0.417 . . . . 0.0 110.893 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.413 HG11 ' CE2' ' A' ' 87' ' ' PHE . 31.8 t -106.23 95.87 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.975 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -60.47 166.02 3.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.995 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 23.4 mtm-85 -74.9 -39.3 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.72 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.6 t -62.03 -25.77 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.201 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -54.64 -63.08 1.26 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.144 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.783 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.9 mt -67.66 -26.72 35.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.495 ' CE2' HD11 ' A' ' 104' ' ' LEU . 73.8 t80 -69.53 -42.97 73.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.73 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -79.27 -44.49 21.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.083 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -60.4 -33.09 71.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.082 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -75.6 -44.73 41.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.966 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.506 HD23 ' HA3' ' A' ' 110' ' ' GLY . 19.7 mt -59.01 -41.48 87.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.13 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -58.91 6.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.351 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.509 ' HE1' ' N ' ' A' ' 55' ' ' SER . 3.3 tpp -61.9 -22.58 65.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.501 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.794 HG22 HD23 ' A' ' 113' ' ' LEU . 62.9 p -95.99 27.34 3.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.775 0.321 . . . . 0.0 111.211 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 54.74 60.49 3.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.989 0.423 . . . . 0.0 111.016 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 64.87 28.37 12.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.918 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.506 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 69.33 35.7 77.04 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.784 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 69.8 p -120.22 -15.36 8.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.578 0.228 . . . . 0.0 111.527 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -158.15 114.16 2.76 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.869 0.366 . . . . 0.0 110.987 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.794 HD23 HG22 ' A' ' 107' ' ' THR . 1.5 tm? -97.46 90.76 5.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.008 HD12 ' HB1' ' A' ' 47' ' ' ALA . 82.5 mt 59.71 -81.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.078 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 113' ' ' LEU . 27.5 m120 -133.67 37.96 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.9 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 51.1 m-85 -151.04 94.55 2.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.13 127.75 32.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.755 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.756 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -143.17 159.46 42.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.64 ' O ' HD12 ' A' ' 118' ' ' LEU . 11.4 t0 -70.41 160.88 31.52 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.16 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.43 ' HG3' HD22 ' A' ' 104' ' ' LEU . 7.9 ttt180 -95.08 -53.73 3.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.89 -31.06 70.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 53.4 p -60.08 -31.25 69.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.018 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.0 t -58.82 146.69 8.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.16 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -169.96 125.96 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 9.9 p -125.95 126.21 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -131.44 177.11 7.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.101 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.0 p -68.7 111.95 5.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.505 ' N ' ' HD2' ' A' ' 129' ' ' PRO . . . -68.81 -54.94 12.35 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.888 -0.673 . . . . 0.0 112.953 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . 0.505 ' HD2' ' N ' ' A' ' 128' ' ' GLY . 21.0 Cg_endo -62.09 -59.11 0.3 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.367 2.045 . . . . 0.0 112.566 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 8.3 t 70.0 -64.58 0.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 3.0 t 70.05 -65.99 0.29 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -93.83 154.57 17.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -65.54 -64.67 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.972 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.58 -120.39 21.44 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.541 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.67 -63.5 1.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.855 0.359 . . . . 0.0 110.909 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.7 p -96.31 160.65 14.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.66 -97.6 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.61 163.24 34.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 0.0 110.868 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.0 m 60.39 47.21 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.9 t -103.15 107.45 18.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.4 p 58.5 167.79 0.05 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -112.27 163.64 14.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.683 ' CB ' HD11 ' A' ' 84' ' ' LEU . 44.7 m170 -137.19 95.58 3.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 34.2 m-85 -85.17 113.2 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.808 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 125' ' ' VAL . 1.0 OUTLIER -53.26 119.48 4.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.304 -179.856 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.817 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.6 tp -98.2 133.55 42.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.743 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -148.48 137.52 21.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 111.178 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.688 ' HB2' HG22 ' A' ' 123' ' ' VAL . 8.5 p90 -177.39 123.15 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.774 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.428 HG23 ' C ' ' A' ' 79' ' ' THR . 27.0 m -74.95 131.99 41.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.066 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.409 HD11 HG21 ' A' ' 81' ' ' VAL . 50.7 mt -100.45 97.71 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.43 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 32.2 p -53.87 -26.14 23.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.0 t30 -87.8 52.41 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.613 ' HG ' HG21 ' A' ' 40' ' ' THR . 0.4 OUTLIER -174.45 88.32 0.33 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.701 -179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -64.28 126.81 17.77 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.486 2.124 . . . . 0.0 112.347 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -63.5 97.78 0.15 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -104.67 168.98 8.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pm0 -58.51 -28.27 65.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.446 ' HA ' HG21 ' A' ' 34' ' ' THR . 10.9 m-20 -68.17 -45.58 73.09 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.504 HD11 ' HG2' ' A' ' 36' ' ' LYS . 34.1 mm -68.18 -28.12 39.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.92 -9.6 58.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.497 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -124.67 109.49 28.28 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 15.8 Cg_exo -67.58 61.85 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.646 2.23 . . . . 0.0 112.366 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -170.7 34.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.92 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.446 HG21 ' HA ' ' A' ' 28' ' ' ASP . 29.9 p -128.64 -175.52 3.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.8 m -83.1 -52.37 6.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.098 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.504 ' HG2' HD11 ' A' ' 29' ' ' ILE . 15.7 tttt -57.32 -28.86 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' CZ ' ' HE3' ' A' ' 41' ' ' LYS . 66.2 t80 -77.38 -49.42 14.95 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -69.79 -30.72 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.02 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -74.05 -41.24 62.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.044 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.613 HG21 ' HG ' ' A' ' 23' ' ' LEU . 74.0 m -72.44 -47.15 51.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.993 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.734 ' CG ' HG11 ' A' ' 66' ' ' VAL . 5.1 ttmt -58.52 -48.44 80.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.16 -30.56 71.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.966 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.6 -40.89 72.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.499 HG22 HD12 ' A' ' 48' ' ' LEU . 14.7 mt -70.23 -48.67 59.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.76 -43.0 94.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.851 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -69.25 -49.16 58.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -63.47 -31.08 72.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.499 HD12 HG22 ' A' ' 44' ' ' ILE . 12.4 mt -72.61 -33.47 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.429 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -63.43 -39.19 93.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -55.15 21.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.9 tt -49.04 -39.4 27.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.472 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 15.9 m-85 -59.55 -47.77 84.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 20.3 mtm105 -74.91 -7.28 53.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.465 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.11 -28.75 12.87 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.833 0.349 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.413 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 51.2 p -66.23 176.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.08 -22.92 38.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.452 HG23 ' OE2' ' A' ' 102' ' ' GLU . 37.8 pt -92.93 45.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.32 38.91 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.12 -45.33 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.958 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.41 ' CB ' ' HB2' ' A' ' 91' ' ' ALA . 44.8 m-85 -110.2 -27.23 9.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.495 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -55.51 127.76 31.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.986 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.11 -66.1 1.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -164.33 -177.1 4.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.447 ' HG ' ' C ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -113.82 164.83 13.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 -132.22 97.22 4.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.723 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.734 HG11 ' CG ' ' A' ' 41' ' ' LYS . 9.8 p -68.21 110.16 2.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.017 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.4 mt -76.71 -58.56 3.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.28 -179.49 3.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.173 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -107.84 176.28 5.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.923 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -147.57 155.11 41.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.0 t -91.83 178.94 5.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.501 HG21 ' HB2' ' A' ' 78' ' ' HIS . 14.6 m -146.0 133.87 15.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.194 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.1 p -62.59 -73.17 0.11 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 43.2 m-20 -59.49 115.49 3.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.833 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.95 120.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -97.57 29.54 3.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.083 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -105.95 17.02 24.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.094 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.501 ' HB2' HG21 ' A' ' 72' ' ' VAL . 19.6 m170 -127.95 -179.79 5.16 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.8 0.333 . . . . 0.0 110.836 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.428 ' C ' HG23 ' A' ' 19' ' ' THR . 60.5 m -159.46 126.49 4.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.72 134.1 12.75 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.409 HG21 HD11 ' A' ' 20' ' ' ILE . 41.3 t -102.28 138.35 26.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.873 0.368 . . . . 0.0 111.238 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.55 76.29 1.32 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.522 179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.89 -177.86 3.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.061 -179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.683 HD11 ' CB ' ' A' ' 13' ' ' HIS . 3.2 tm? -135.86 119.44 17.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.984 -179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.817 ' SG ' HD13 ' A' ' 16' ' ' LEU . 86.7 m -73.4 83.11 1.44 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.579 179.774 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.518 ' ND2' HD12 ' A' ' 84' ' ' LEU . 0.5 OUTLIER -70.25 139.7 52.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.31 -179.679 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CE1' HD11 ' A' ' 99' ' ' ILE . 6.3 m-85 -130.47 -176.88 4.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.908 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.64 166.07 17.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.842 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.401 ' HG2' HD12 ' A' ' 90' ' ' LEU . 57.5 Cg_endo -71.13 -33.68 11.25 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.555 2.17 . . . . 0.0 112.383 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.403 ' HB3' ' CE1' ' A' ' 60' ' ' TYR . 5.5 mp -59.73 -31.21 69.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.41 ' HB2' ' CB ' ' A' ' 60' ' ' TYR . . . -60.02 165.73 3.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.135 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -178.7 -38.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.4 mmt-85 -94.05 46.07 1.16 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.85 121.98 66.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.994 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -100.6 160.4 14.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.464 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.1 OUTLIER -62.94 -31.59 72.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.487 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -65.93 -28.77 44.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.221 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.11 -63.04 1.44 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.102 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.663 HG21 ' SG ' ' A' ' 85' ' ' CYS . 11.0 mt -64.14 -19.53 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.161 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.715 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 63.8 t80 -82.16 -46.07 14.27 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.487 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.5 mt-10 -72.31 -29.14 63.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.261 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.452 ' OE2' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -83.65 -30.36 26.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.074 -179.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -76.47 -28.84 56.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.126 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.819 HD22 ' HG2' ' A' ' 120' ' ' ARG . 11.6 mt -84.37 -38.54 20.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.155 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 2.9 ttt180 -61.68 -51.65 67.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.413 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 0.6 OUTLIER -63.18 -25.16 68.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.164 -179.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.433 HG22 HD23 ' A' ' 113' ' ' LEU . 54.7 p -97.02 29.28 3.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.046 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 53.31 59.47 4.38 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.08 0.467 . . . . 0.0 110.871 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 62.17 37.42 14.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.69 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 60.92 70.2 1.08 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.332 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 39.9 p -141.58 -45.99 0.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.739 0.304 . . . . 0.0 111.223 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.411 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 1.3 tt0 -129.0 98.87 5.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 111.353 -179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.741 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -85.8 85.99 7.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.608 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.964 HD12 ' HB1' ' A' ' 47' ' ' ALA . 81.5 mt 60.98 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -132.51 30.49 4.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -149.85 97.8 2.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 15.9 p -64.94 123.43 19.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.653 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -136.27 158.83 43.48 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.028 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.647 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.5 OUTLIER -72.9 167.17 21.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.248 -179.708 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.819 ' HG2' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -106.11 -49.28 3.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.025 179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 pttt -57.33 -31.53 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 94.9 p -70.47 -30.53 67.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.758 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.688 HG22 ' HB2' ' A' ' 18' ' ' PHE . 39.8 t -60.41 143.32 14.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.015 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -171.19 133.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 15' ' ' ASN . 13.1 p -131.97 134.54 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -124.31 174.6 7.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.3 m -85.54 112.78 21.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -68.11 -152.46 0.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.567 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.11 127.39 14.25 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.548 2.165 . . . . 0.0 112.291 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 m -127.9 112.41 14.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 38.2 t 60.48 103.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.499 -179.975 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.21 31.28 19.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 0.0 110.867 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 m -117.81 -40.89 2.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.03 120.19 2.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.494 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.4 p -93.37 -42.11 9.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.786 0.327 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 t -172.91 -54.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.68 -35.62 1.29 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.436 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 36.1 t -78.45 146.69 34.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.765 0.317 . . . . 0.0 110.921 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.47 59.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.2 m -106.03 29.95 6.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.966 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.9 m -102.37 -177.89 3.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.606 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.0 OUTLIER -158.99 131.97 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 m170 -126.82 116.79 21.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.899 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.412 ' HB3' HG22 ' A' ' 125' ' ' VAL . 60.2 m-85 -108.78 110.95 22.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.875 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.562 ' HA ' HD22 ' A' ' 84' ' ' LEU . 4.0 t30 -55.37 111.69 0.94 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.254 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.74 HD13 ' SG ' ' A' ' 85' ' ' CYS . 18.4 tp -88.24 136.22 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -153.31 140.18 19.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.976 0.417 . . . . 0.0 111.302 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.738 ' CD2' HD22 ' A' ' 118' ' ' LEU . 21.5 p90 -178.29 116.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.532 179.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.3 m -69.21 133.49 48.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.449 -179.392 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.62 HD11 HG21 ' A' ' 81' ' ' VAL . 23.5 mt -106.01 108.73 25.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.803 179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 31.1 p -68.33 -30.5 69.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.223 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -79.35 -2.91 43.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.545 HD21 HG23 ' A' ' 40' ' ' THR . 0.3 OUTLIER -103.55 90.65 2.84 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 120.725 0.298 . . . . 0.0 110.947 -179.863 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.24 116.36 4.15 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.515 2.144 . . . . 0.0 112.257 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.484 ' HD2' HG23 ' A' ' 79' ' ' THR . 1.0 OUTLIER -80.03 128.45 33.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.966 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.2 m -135.95 179.06 6.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -59.57 -29.91 68.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.931 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.706 ' HA ' HG21 ' A' ' 34' ' ' THR . 49.8 m-20 -64.23 -45.82 86.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.804 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.7 mm -67.49 -13.16 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.391 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.57 -24.64 20.53 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.712 0.291 . . . . 0.0 111.192 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.6 mt-30 -122.52 118.57 28.62 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 40.4 Cg_exo -56.75 -20.9 37.25 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.514 2.143 . . . . 0.0 112.434 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 9.9 t -53.71 -29.11 37.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.235 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.706 HG21 ' HA ' ' A' ' 28' ' ' ASP . 47.2 p -84.14 165.46 18.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.991 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.454 HG22 ' HG3' ' A' ' 39' ' ' GLN . 12.3 m -83.14 -30.78 27.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.041 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -58.03 -28.14 64.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.091 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 27.3 t80 -75.08 -36.24 61.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.811 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -82.07 -38.39 24.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.956 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.6 mm-40 -70.37 -47.72 59.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.965 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.545 HG23 HD21 ' A' ' 23' ' ' LEU . 63.1 m -64.7 -46.25 83.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.957 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.8 tttm -58.66 -44.46 90.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.052 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -71.61 -30.66 66.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 4.3 t -62.13 -45.32 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.995 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.434 HD12 ' CE1' ' A' ' 69' ' ' PHE . 41.5 mt -70.25 -46.89 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.064 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.99 -36.44 77.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -72.6 -45.47 58.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.085 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -61.02 -37.03 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 24.9 mt -71.08 -29.89 65.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.019 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -59.39 -59.48 5.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.034 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.494 ' OE1' HD13 ' A' ' 114' ' ' LEU . 9.2 pt20 -59.63 -31.16 69.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.5 tt -60.98 -52.77 63.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.991 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.6 m-85 -61.16 -41.45 96.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.019 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.2 mtm180 -61.91 -29.3 70.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.042 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -94.85 -27.22 15.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.1 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' N ' ' HE1' ' A' ' 106' ' ' MET . 88.4 p -57.26 155.24 9.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.028 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.8 t -59.04 -28.6 66.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.652 HG23 ' OE2' ' A' ' 102' ' ' GLU . 24.8 pt -93.88 46.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.6 pttp -90.29 46.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.982 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 6.8 t -140.52 -47.25 0.42 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.542 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.601 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 31.6 m-85 -91.52 -29.0 17.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.8 t80 -67.72 95.9 0.53 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.835 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.2 m -60.61 -65.01 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -168.78 -171.48 1.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.439 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 52.6 t -128.92 154.14 46.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -132.96 121.89 23.47 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.521 HG13 ' O ' ' A' ' 66' ' ' VAL . 11.2 p -83.87 116.36 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.1 mt -75.05 -65.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.942 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -170.11 171.67 6.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.434 ' CE1' HD12 ' A' ' 44' ' ' ILE . 43.5 m-85 -104.97 132.31 51.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.09 109.48 20.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.23 102.13 4.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.853 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 78' ' ' HIS . 16.5 m -64.89 139.16 21.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 p -85.92 -27.58 24.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.002 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -56.99 -43.05 81.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.053 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.61 ' O ' HG23 ' A' ' 72' ' ' VAL . 8.2 t-20 -142.36 152.73 43.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.889 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -99.61 28.26 4.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -121.44 -41.91 2.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.951 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.673 ' HB2' HG21 ' A' ' 72' ' ' VAL . 12.1 m170 -72.13 173.42 8.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.892 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.484 HG23 ' HD2' ' A' ' 25' ' ' TYR . 77.0 m -162.69 109.79 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -69.74 106.6 1.86 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.416 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.62 HG21 HD11 ' A' ' 20' ' ' ILE . 61.9 t -70.62 141.59 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 111.193 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -130.02 76.94 1.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.541 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.53 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.6 OUTLIER -101.76 -178.86 3.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.192 -179.668 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.562 HD22 ' HA ' ' A' ' 15' ' ' ASN . 1.3 tm? -137.22 118.11 14.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.854 -179.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.74 ' SG ' HD13 ' A' ' 16' ' ' LEU . 3.9 m -73.62 82.08 1.53 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.718 0.294 . . . . 0.0 110.362 179.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.81 124.28 22.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.098 -179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.735 ' CE2' HG11 ' A' ' 94' ' ' VAL . 5.0 m-85 -116.57 155.78 28.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.816 179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.42 159.16 80.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.743 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -67.64 -14.84 43.26 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.589 2.193 . . . . 0.0 112.54 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 90' ' ' LEU . 6.3 mp -69.3 -34.61 74.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.606 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -58.14 178.32 0.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.088 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 178.94 -37.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.035 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.2 32.19 3.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.295 -179.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.735 HG11 ' CE2' ' A' ' 87' ' ' PHE . 15.1 t -87.47 140.01 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.906 179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -128.65 155.43 45.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.981 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.705 ' HB2' HG13 ' A' ' 125' ' ' VAL . 0.0 OUTLIER -58.64 -30.59 67.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.013 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.86 -30.19 47.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.169 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.5 -62.98 1.43 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.193 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.647 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.6 mt -63.98 -23.57 33.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.586 ' CZ ' HD11 ' A' ' 104' ' ' LEU . 60.0 t80 -75.03 -44.39 48.14 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.108 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -74.84 -51.49 13.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.652 ' OE2' HG23 ' A' ' 57' ' ' ILE . 0.3 OUTLIER -57.95 -28.56 64.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.268 -179.693 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.688 ' O ' HG23 ' A' ' 107' ' ' THR . 56.5 t80 -77.06 -58.96 2.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.227 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.586 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 68.3 mt -56.19 -39.82 72.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.233 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.85 -28.17 69.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.218 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.402 ' HE1' ' N ' ' A' ' 55' ' ' SER . 2.4 tpp -87.31 -25.97 23.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.332 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.845 HG22 HD23 ' A' ' 113' ' ' LEU . 7.3 p -93.84 43.1 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.851 0.358 . . . . 0.0 111.123 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 54.64 52.13 12.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.977 0.418 . . . . 0.0 110.909 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 62.32 48.25 4.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' HA3' HD22 ' A' ' 104' ' ' LEU . . . 58.86 40.81 95.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.719 179.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 22.6 p -124.3 -38.17 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.624 0.249 . . . . 0.0 111.35 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 50.5 tt0 -143.32 116.96 9.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.907 0.384 . . . . 0.0 111.215 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.845 HD23 HG22 ' A' ' 107' ' ' THR . 1.5 tm? -94.61 92.19 6.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.638 179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.085 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.7 mt 61.66 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.033 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 113' ' ' LEU . 5.4 m120 -133.84 43.17 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.889 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 115' ' ' ASN . 87.8 m-85 -158.47 114.25 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.401 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 15.4 p -77.68 118.05 19.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.738 HD22 ' CD2' ' A' ' 18' ' ' PHE . 4.1 pp -135.22 159.75 40.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -80.28 144.69 32.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.149 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -47.28 19.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -58.94 -32.88 70.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.8 t -63.47 -33.86 76.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.729 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.714 HG22 ' HB2' ' A' ' 18' ' ' PHE . 18.2 t -59.67 150.19 6.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.064 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -174.02 131.9 0.41 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.808 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.705 HG13 ' HB2' ' A' ' 96' ' ' ARG . 14.9 p -129.48 117.38 42.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.172 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -108.79 170.61 7.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.988 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.4 m -74.14 101.67 4.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.988 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 59.68 157.32 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.996 -0.621 . . . . 0.0 112.699 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -67.43 -60.16 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.777 2.318 . . . . 0.0 112.129 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 7.4 m 62.3 89.29 0.08 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 7.7 t -108.56 145.51 34.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -136.69 143.25 43.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.3 p -172.94 149.13 1.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.39 -149.37 13.71 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 p -157.6 168.03 28.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 110.935 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 m -153.53 111.01 3.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.21 -141.75 1.14 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.527 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -78.07 -178.64 5.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.83 0.348 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.61 164.6 31.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 84.1 p -83.53 173.71 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -177.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.968 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -133.82 146.23 50.47 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.964 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.71 ' HB3' HD11 ' A' ' 84' ' ' LEU . 31.9 m170 -128.05 109.31 11.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.975 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.409 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 96.7 m-85 -95.92 118.1 31.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.736 179.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 125' ' ' VAL . 0.4 OUTLIER -59.97 119.0 6.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.143 -179.769 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.862 HD13 ' SG ' ' A' ' 85' ' ' CYS . 23.4 tp -98.35 128.32 44.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.56 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 32.1 m-80 -146.31 135.27 22.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.942 0.401 . . . . 0.0 111.425 -179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.807 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.0 p90 -171.27 115.71 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.444 179.587 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 m -77.65 132.7 38.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.318 -179.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.643 HD11 HG21 ' A' ' 81' ' ' VAL . 19.0 mt -97.0 131.41 43.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.826 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.708 HG22 ' CE1' ' A' ' 78' ' ' HIS . 6.3 p -97.11 32.03 2.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.547 ' H ' HG22 ' A' ' 20' ' ' ILE . 45.0 t30 -146.44 30.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.811 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -143.97 105.4 4.86 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.768 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.4 143.09 62.22 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.373 2.049 . . . . 0.0 112.372 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -102.88 122.31 44.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.9 p -128.47 177.15 7.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.835 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.5 pt20 -61.31 -30.96 70.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.862 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.0 OUTLIER -60.3 -48.81 80.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.869 -179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' A' ' 36' ' ' LYS . 39.2 mm -59.56 -28.42 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.073 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.83 -18.98 65.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.324 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -126.7 113.46 22.61 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.855 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -53.14 -23.64 23.2 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.516 2.144 . . . . 0.0 112.439 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.2 t -55.46 -29.68 59.14 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.082 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.862 HG21 ' HA ' ' A' ' 28' ' ' ASP . 27.6 p -74.64 162.94 28.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 9.2 m -82.93 -29.77 28.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' HB3' HD13 ' A' ' 29' ' ' ILE . 18.9 tttt -58.72 -29.83 66.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.038 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -80.66 -53.45 6.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.964 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -59.92 -31.3 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.849 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.24 -65.0 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.659 HG22 HD11 ' A' ' 44' ' ' ILE . 4.6 m -61.23 -31.23 71.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.009 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.9 tttp -66.92 -31.12 71.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.3 ttp180 -83.49 -40.36 19.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -59.46 -43.2 93.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.659 HD11 HG22 ' A' ' 40' ' ' THR . 12.1 mt -69.92 -45.91 75.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -39.94 87.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -72.36 -37.77 68.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.728 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -68.72 -35.15 76.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.08 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 HD13 ' SG ' ' A' ' 64' ' ' CYS . 72.3 mt -72.4 -30.73 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -61.69 -59.66 4.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.991 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -59.12 -30.25 67.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.037 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.473 ' O ' ' HE1' ' A' ' 106' ' ' MET . 6.5 tt -61.02 -36.42 79.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.986 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.496 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.4 m-85 -76.81 -41.46 44.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.01 -26.54 67.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.225 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -88.64 -29.53 19.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.158 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.7 p -66.44 161.45 22.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.996 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -59.89 -26.39 65.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.932 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 39.0 pt -93.21 45.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.025 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -91.53 50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.3 m -141.7 -47.35 0.37 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -90.0 -36.7 14.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.953 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.496 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.8 OUTLIER -59.54 115.35 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -82.3 -61.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -175.38 -176.72 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.447 ' SG ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -113.04 150.19 32.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -120.83 93.7 4.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 66' ' ' VAL . 10.1 p -68.66 107.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.026 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 35.5 mt -68.14 -63.23 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.93 -171.09 1.1 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -113.94 119.17 36.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 19.6 mmm180 -78.34 133.46 37.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -75.88 162.4 28.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.861 HG21 ' HB2' ' A' ' 78' ' ' HIS . 15.3 m -146.41 154.68 12.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.198 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.7 m -105.02 -47.23 4.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.2 130.34 46.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 79.52 -50.53 0.4 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.28 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 74.26 32.08 1.02 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.869 0.366 . . . . 0.0 110.76 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -153.5 26.23 0.51 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.861 ' HB2' HG21 ' A' ' 72' ' ' VAL . 52.9 m170 -117.0 -179.91 3.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 m -163.88 120.98 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.974 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.52 108.45 2.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.456 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.643 HG21 HD11 ' A' ' 20' ' ' ILE . 36.6 t -77.98 93.12 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.816 0.341 . . . . 0.0 111.215 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.73 86.84 7.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.669 179.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.636 ' OG ' HD23 ' A' ' 16' ' ' LEU . 2.0 p -108.95 -177.58 3.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.082 -179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.7 tm? -136.16 118.8 15.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.031 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.862 ' SG ' HD13 ' A' ' 16' ' ' LEU . 44.9 m -78.53 81.13 4.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.639 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.657 ' ND2' HD12 ' A' ' 84' ' ' LEU . 4.6 m-80 -70.11 142.3 52.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.28 -179.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.505 ' CD2' HG21 ' A' ' 94' ' ' VAL . 8.3 m-85 -131.41 -177.03 4.22 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.833 179.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.414 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.7 OUTLIER -109.12 151.77 42.15 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.972 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 88' ' ' SER . 23.1 Cg_exo -63.88 -20.79 68.78 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.607 2.204 . . . . 0.0 112.541 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mp -64.33 -27.08 68.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.124 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.73 ' HB1' HG23 ' A' ' 94' ' ' VAL . . . -59.48 -79.75 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.306 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.1 mtt-85 62.28 24.13 14.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.069 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.98 30.29 0.14 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.757 0.313 . . . . 0.0 111.026 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.73 HG23 ' HB1' ' A' ' 91' ' ' ALA . 28.4 t -100.82 149.89 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.83 159.34 40.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . 0.426 ' HB2' HG13 ' A' ' 125' ' ' VAL . 6.3 ptt180 -62.23 -34.53 76.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.4 t -66.23 -30.11 48.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -63.86 -54.74 30.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.132 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.781 HG21 ' SG ' ' A' ' 85' ' ' CYS . 9.7 mt -65.94 -25.6 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.092 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.772 ' CE2' HD11 ' A' ' 104' ' ' LEU . 78.4 t80 -75.68 -44.22 43.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.05 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -66.41 -54.77 20.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.185 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.01 -35.26 69.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.119 -179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.42 ' CZ ' HG21 ' A' ' 107' ' ' THR . 58.0 t80 -65.21 -45.7 83.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.024 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.772 HD11 ' CE2' ' A' ' 100' ' ' TYR . 11.8 mt -63.39 -37.26 86.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.151 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.08 -33.28 75.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.155 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.473 ' HE1' ' O ' ' A' ' 51' ' ' LEU . 2.2 tpp -87.69 -24.33 23.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.331 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.769 HG22 ' HA ' ' A' ' 113' ' ' LEU . 22.3 p -95.73 25.05 4.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.701 0.286 . . . . 0.0 111.238 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 52.01 78.83 0.12 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.189 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 23.9 m-20 55.78 29.21 13.52 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.588 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 59.88 66.09 2.97 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.407 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 73.4 p -146.34 -44.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.709 0.29 . . . . 0.0 111.196 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' A' ' 117' ' ' THR . 4.7 tt0 -122.52 99.76 6.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.864 0.364 . . . . 0.0 111.217 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.769 ' HA ' HG22 ' A' ' 107' ' ' THR . 2.0 tm? -70.23 91.21 0.71 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.53 179.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.728 HD12 ' HB1' ' A' ' 47' ' ' ALA . 29.2 mt 62.18 -79.51 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.986 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -115.72 -35.47 4.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -76.88 159.17 30.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.03 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' A' ' 112' ' ' GLN . 71.0 p -117.34 114.22 23.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.786 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.807 HD22 ' CD2' ' A' ' 18' ' ' PHE . 2.6 pp -127.79 161.89 27.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.166 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -73.77 172.45 11.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.224 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 5.2 ttp180 -105.79 -50.23 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -52.52 -28.29 19.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.077 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.3 t -77.74 -28.88 50.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.784 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 23.6 t -63.15 135.71 27.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 125' ' ' VAL . 20.7 t80 -174.04 148.31 1.35 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 15' ' ' ASN . 14.4 p -145.25 138.52 21.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -123.77 -172.61 2.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -100.08 83.21 2.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.98 -176.13 2.61 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.577 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.73 -173.91 1.94 Allowed 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.617 2.211 . . . . 0.0 112.483 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 t 58.84 21.6 9.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.184 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 19.1 m 53.3 29.02 7.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.446 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.155 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -83.57 61.04 6.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 0.0 110.86 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -170.4 -47.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.76 57.52 19.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.514 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 t -68.08 100.9 1.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.727 0.299 . . . . 0.0 110.963 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -118.69 32.46 6.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.73 105.07 0.39 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.459 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -68.62 82.13 0.27 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 110.941 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.35 -27.08 14.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.934 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.9 36.96 5.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.94 -174.55 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.813 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -145.5 133.89 21.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.549 ' HB3' HD11 ' A' ' 84' ' ' LEU . 32.7 m170 -114.73 119.05 35.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.818 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB2' ' HB2' ' A' ' 85' ' ' CYS . 84.4 m-85 -107.1 109.41 21.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.831 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.566 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.5 t30 -58.15 106.58 0.39 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.144 -179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.827 HD13 ' SG ' ' A' ' 85' ' ' CYS . 25.4 tp -89.02 125.86 35.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.605 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -144.14 141.01 29.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.94 0.4 . . . . 0.0 111.466 -179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.802 ' HB2' HG22 ' A' ' 123' ' ' VAL . 21.7 p90 -178.17 112.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.478 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.8 m -67.63 133.72 49.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.243 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.576 HD11 HG21 ' A' ' 81' ' ' VAL . 22.3 mt -103.08 100.11 9.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.908 179.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.426 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 36.1 p -53.14 -28.69 27.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.243 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.1 t30 -94.44 44.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.649 HD21 HG23 ' A' ' 40' ' ' THR . 0.6 OUTLIER -151.93 91.83 3.67 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.855 179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.62 144.35 54.45 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.481 2.121 . . . . 0.0 112.334 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -103.72 128.99 51.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.5 p -132.23 179.02 6.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -59.7 -30.38 68.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.546 ' HA ' HG21 ' A' ' 34' ' ' THR . 3.1 m-20 -65.8 -46.96 76.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.699 HD11 ' HG3' ' A' ' 36' ' ' LYS . 29.6 mm -66.42 -14.28 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.286 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.27 -25.59 36.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.686 0.279 . . . . 0.0 111.264 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.431 ' HA ' ' HD3' ' A' ' 32' ' ' PRO . 6.2 mt-30 -119.21 137.35 25.14 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.976 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 5.8 Cg_exo -73.99 -2.56 12.45 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.674 2.249 . . . . 0.0 112.745 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.0 t -94.27 32.63 1.5 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.638 0.256 . . . . 0.0 111.292 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.546 HG21 ' HA ' ' A' ' 28' ' ' ASP . 5.6 p -138.66 140.06 38.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.806 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.8 m -57.56 -38.99 75.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.699 ' HG3' HD11 ' A' ' 29' ' ' ILE . 11.4 tptp -59.13 -29.21 67.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.829 179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.442 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 14.6 t80 -73.74 -61.12 1.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.814 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -59.62 -30.64 68.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -59.31 -52.71 64.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.649 HG23 HD21 ' A' ' 23' ' ' LEU . 0.4 OUTLIER -60.95 -44.65 96.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.97 -179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.647 ' CG ' HG11 ' A' ' 66' ' ' VAL . 14.0 ttmt -59.43 -56.3 23.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -58.81 -38.76 79.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.048 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -60.11 -50.83 72.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.458 HD12 ' CZ ' ' A' ' 69' ' ' PHE . 28.0 mt -71.31 -47.39 60.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.127 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.08 -29.8 63.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 48.7 t30 -80.81 -45.19 17.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.846 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.27 -37.28 83.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 48' ' ' LEU . 15.7 mt -71.95 -30.96 65.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.958 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -59.27 -57.73 11.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.9 pt20 -63.25 -26.91 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 51' ' ' LEU . 4.0 tt -63.74 -30.4 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.017 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.497 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 10.1 m-85 -77.81 -55.77 5.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.037 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 3.9 ptm85 -56.03 -23.45 33.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -88.14 -29.04 20.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.999 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.3 p -62.69 168.86 3.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.933 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 p -70.61 -26.96 63.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.456 HD12 ' HZ ' ' A' ' 87' ' ' PHE . 24.9 pt -94.16 46.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.946 0.403 . . . . 0.0 111.069 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 19.0 pttt -89.53 52.35 2.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.5 t -137.59 -52.61 0.65 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.97 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 43.8 m-85 -88.21 -30.24 19.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.497 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 2.1 t80 -56.98 107.73 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.01 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.1 m -76.87 -60.76 2.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -177.2 176.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.438 ' HB2' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -111.77 123.01 49.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -96.25 101.17 12.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.647 HG11 ' CG ' ' A' ' 41' ' ' LYS . 10.4 p -73.08 107.88 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.065 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 23.5 mt -69.11 -65.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -169.39 -176.1 2.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.458 ' CZ ' HD12 ' A' ' 44' ' ' ILE . 58.1 m-85 -113.68 136.17 53.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 36.8 mmm-85 -88.92 131.95 34.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.7 t -87.77 112.13 22.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.8 m -71.16 179.95 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -140.59 161.1 38.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 60.82 34.85 19.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.5 t30 -176.79 -55.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 60.15 26.8 16.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.956 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -113.29 -22.43 10.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.426 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 7.5 m170 -103.36 172.02 7.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.832 0.349 . . . . 0.0 110.902 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 86.0 m -150.39 110.7 4.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.01 112.56 4.96 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.576 HG21 HD11 ' A' ' 20' ' ' ILE . 48.2 t -73.62 133.5 31.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.889 0.376 . . . . 0.0 111.176 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -122.51 78.24 1.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.367 179.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.606 ' OG ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -103.63 175.92 5.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.066 -179.522 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.771 HD12 ' ND2' ' A' ' 86' ' ' ASN . 1.2 tm? -135.26 103.47 5.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.887 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.827 ' SG ' HD13 ' A' ' 16' ' ' LEU . 14.7 m -67.52 76.5 0.17 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.966 0.412 . . . . 0.0 110.463 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.771 ' ND2' HD12 ' A' ' 84' ' ' LEU . 2.8 m-80 -69.23 146.03 52.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.15 -179.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.467 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 13.5 m-85 -133.31 148.92 51.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.847 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 m -56.8 153.88 20.56 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -59.34 -31.2 94.56 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.557 2.171 . . . . 0.0 112.312 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.0 -31.49 68.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.628 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -66.28 135.52 54.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.045 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.94 33.8 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -167.58 33.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.403 ' O ' ' CZ ' ' A' ' 14' ' ' PHE . 21.2 t -97.33 87.42 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.07 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.57 156.77 12.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -59.49 -34.32 72.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.463 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.4 t -63.61 -29.65 47.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.65 -59.88 4.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.653 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.4 mt -69.84 -23.69 25.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.065 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.751 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.8 t80 -75.83 -41.57 52.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.463 ' HG3' HG12 ' A' ' 97' ' ' VAL . 5.1 mt-10 -74.95 -41.3 59.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.969 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -59.27 -37.71 78.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.996 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.483 ' CZ ' HG21 ' A' ' 107' ' ' THR . 35.0 t80 -71.58 -47.63 53.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.751 HD11 ' CE2' ' A' ' 100' ' ' TYR . 21.3 mt -60.06 -42.18 93.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.164 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.55 -42.81 93.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.148 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 3.8 tpp -78.12 -28.71 48.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.21 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.565 HG22 HD23 ' A' ' 113' ' ' LEU . 42.9 p -97.08 26.42 4.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.233 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 24.0 m170 51.59 78.57 0.11 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.189 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 63.5 m-20 52.04 26.32 3.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.551 ' HA3' HD23 ' A' ' 104' ' ' LEU . . . 66.57 70.43 1.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.421 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 19.8 p -139.61 -46.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.94 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -133.7 119.83 19.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.046 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.73 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.0 tm? -95.03 92.24 6.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.724 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.846 HD12 ' HB1' ' A' ' 47' ' ' ALA . 33.4 mt 61.03 -80.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.133 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -131.76 29.52 4.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.773 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -141.02 109.33 5.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 18.2 p -75.82 115.98 16.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.004 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.774 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.7 pp -128.91 160.41 32.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.504 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.8 OUTLIER -85.72 159.94 19.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.195 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.4 ' HB3' ' CZ ' ' A' ' 120' ' ' ARG . 21.8 ttp-105 -90.5 -42.77 10.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.854 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.27 -34.33 66.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 96.3 p -71.37 -29.76 65.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.802 HG22 ' HB2' ' A' ' 18' ' ' PHE . 38.9 t -63.5 145.32 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.031 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -171.59 127.27 0.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.818 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 125' ' ' VAL . 11.3 p -128.18 112.98 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.078 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -124.2 161.63 25.33 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 24.2 m -75.38 90.59 2.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 57.75 -177.77 1.33 Allowed Glycine 0 N--CA 1.453 -0.198 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.496 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.72 -48.06 0.11 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.567 2.178 . . . . 0.0 112.458 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 12.3 p 176.37 135.84 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.876 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 1.1 m -93.8 175.33 6.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.482 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.193 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.3 m -142.04 157.68 44.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.832 0.348 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -138.4 82.85 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.75 -52.65 40.6 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -61.73 146.82 48.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.775 0.322 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -163.6 137.59 5.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 92.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.2 m -106.04 -174.82 2.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.761 0.315 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -153.71 105.88 2.84 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.829 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.9 p -130.67 131.91 45.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.29 160.69 15.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.788 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -120.77 152.19 38.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.511 ' HB3' HD11 ' A' ' 84' ' ' LEU . 43.8 m170 -117.12 133.45 55.98 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 16.6 m-85 -125.26 104.42 8.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.752 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.485 ' HA ' HD22 ' A' ' 84' ' ' LEU . 3.1 m120 -52.59 111.88 0.73 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.267 -179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.86 HD13 ' SG ' ' A' ' 85' ' ' CYS . 20.0 tp -99.06 115.27 28.61 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.686 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -130.6 140.2 50.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.963 0.411 . . . . 0.0 111.249 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.827 ' CD2' HD22 ' A' ' 118' ' ' LEU . 15.7 p90 -178.25 127.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.57 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -84.84 138.61 32.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.392 -179.575 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.734 HG22 ' H ' ' A' ' 22' ' ' ASN . 23.1 mt -106.97 130.18 59.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.877 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 43.5 p -96.17 20.79 9.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.233 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.734 ' H ' HG22 ' A' ' 20' ' ' ILE . 36.4 t30 -113.22 -31.26 6.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.842 0.353 . . . . 0.0 110.886 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HG ' HG21 ' A' ' 40' ' ' THR . 1.4 tm? -91.91 105.0 11.91 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -67.33 130.65 22.96 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.334 2.023 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -65.03 153.57 40.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.004 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 m -162.05 162.94 28.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -59.9 -30.96 69.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.949 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.831 ' HA ' HG21 ' A' ' 34' ' ' THR . 1.1 m-20 -69.6 -42.46 74.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.704 HD11 ' HE3' ' A' ' 36' ' ' LYS . 42.0 mm -63.43 -17.09 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.411 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.76 28.33 3.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.343 . . . . 0.0 111.125 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -170.99 109.53 0.41 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.71 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.98 -21.87 22.65 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.468 2.112 . . . . 0.0 112.504 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 t -56.27 -34.23 66.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.825 0.345 . . . . 0.0 111.029 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.831 HG21 ' HA ' ' A' ' 28' ' ' ASP . 25.9 p -76.92 164.9 25.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.909 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.494 HG22 ' HG3' ' A' ' 39' ' ' GLN . 6.9 m -83.13 -29.46 28.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.959 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.704 ' HE3' HD11 ' A' ' 29' ' ' ILE . 5.0 tttp -58.23 -30.02 66.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.443 ' CE2' ' HD3' ' A' ' 41' ' ' LYS . 61.8 t80 -71.97 -55.62 7.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -61.73 -38.59 88.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.494 ' HG3' HG22 ' A' ' 35' ' ' THR . 15.1 mt-30 -60.04 -57.54 12.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.555 HG21 ' HG ' ' A' ' 23' ' ' LEU . 90.3 m -64.64 -38.78 92.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.746 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.73 ' CG ' HG11 ' A' ' 66' ' ' VAL . 15.1 ttpt -60.33 -36.49 78.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.86 -39.96 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -45.96 92.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 18.6 mt -67.2 -40.92 86.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.59 -30.49 70.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.791 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -75.6 -47.11 28.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.951 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.049 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -61.76 -42.41 98.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.148 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' ' CE1' ' A' ' 52' ' ' PHE . 92.2 mt -68.22 -32.99 73.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.04 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.428 ' HA ' ' CE2' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -55.78 -64.54 0.82 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.04 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -57.35 -27.37 62.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.409 ' O ' ' HE3' ' A' ' 106' ' ' MET . 6.8 tt -58.85 -36.22 74.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.78 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.428 ' CE2' ' HA ' ' A' ' 49' ' ' ASN . 1.5 m-85 -73.67 -47.09 42.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.15 -26.16 36.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -104.33 -16.24 15.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.333 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.409 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 52.2 p -54.16 158.16 2.34 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.776 0.322 . . . . 0.0 111.152 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.6 p -64.29 -25.39 68.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.997 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 18.9 pt -103.88 51.57 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 9.5 pttm -85.62 50.45 1.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.208 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.43 ' O ' ' CG ' ' A' ' 60' ' ' TYR . 0.2 OUTLIER -146.69 18.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.079 179.815 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.447 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 18.4 m-85 -162.65 -43.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.942 0.401 . . . . 0.0 110.711 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' CD2' ' CZ ' ' A' ' 87' ' ' PHE . 0.9 OUTLIER -52.98 121.05 6.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.958 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 t -89.64 -60.97 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -179.15 -178.02 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.68 168.23 9.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -134.65 98.31 4.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.73 HG11 ' CG ' ' A' ' 41' ' ' LYS . 8.0 p -66.51 102.0 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.951 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 26.0 mt -68.32 -56.65 7.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.37 -173.77 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -112.35 167.36 10.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 45.0 mmm-85 -128.22 141.71 51.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.814 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.84 147.67 28.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.516 HG21 ' HB2' ' A' ' 78' ' ' HIS . 5.9 m -113.19 148.37 16.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -95.69 173.31 7.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 65.23 -77.61 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.834 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -97.13 114.97 26.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -93.02 47.78 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.963 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -128.19 20.32 6.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.516 ' HB2' HG21 ' A' ' 72' ' ' VAL . 10.8 m170 -134.02 179.06 6.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.746 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 56.7 m -159.81 123.88 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.28 150.49 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.386 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.471 HG21 HD11 ' A' ' 20' ' ' ILE . 44.7 t -121.04 122.54 67.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.374 . . . . 0.0 111.276 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.38 81.47 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.458 179.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.485 ' OG ' HD23 ' A' ' 16' ' ' LEU . 2.1 p -101.5 174.84 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.016 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 13' ' ' HIS . 1.8 tm? -134.46 109.52 8.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.998 -179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.86 ' SG ' HD13 ' A' ' 16' ' ' LEU . 33.4 m -67.25 76.37 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.516 179.699 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -70.2 145.54 51.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.239 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.504 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 10.9 m-85 -130.19 144.07 51.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.799 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.01 155.32 64.34 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -55.92 -28.09 66.57 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.522 2.148 . . . . 0.0 112.272 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 90' ' ' LEU . 6.7 mp -68.34 -27.23 66.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.967 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -57.1 148.31 22.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.201 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 ttp85 -167.9 150.9 5.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 63.65 35.58 11.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 19.7 t -103.16 123.02 56.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -98.62 172.46 7.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -72.36 -34.19 67.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 31.4 t -66.83 -29.08 45.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.135 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -59.15 -60.38 3.95 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.264 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.719 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.2 mt -63.34 -26.33 40.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.043 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.793 ' CE2' HD11 ' A' ' 104' ' ' LEU . 84.7 t80 -72.54 -45.52 58.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.97 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.43 -54.27 30.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.211 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -28.94 66.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.277 -179.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 38.0 t80 -75.33 -31.57 60.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.124 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.793 HD11 ' CE2' ' A' ' 100' ' ' TYR . 71.2 mt -79.6 -29.6 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.089 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.32 -35.71 76.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.145 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.409 ' HE3' ' O ' ' A' ' 51' ' ' LEU . 3.0 tpp -84.67 -23.58 29.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.298 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.574 HG22 HD23 ' A' ' 113' ' ' LEU . 38.2 p -95.25 22.64 6.57 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.304 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 51.92 81.32 0.08 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.878 0.37 . . . . 0.0 111.173 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 53.59 27.08 6.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.51 77.04 0.21 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.0 p -156.82 -43.83 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.441 ' HG3' HG22 ' A' ' 117' ' ' THR . 21.9 tt0 -125.12 100.07 6.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.199 -179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.747 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -76.39 89.58 3.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.435 179.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.049 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.7 mt 62.2 -80.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.85 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -117.66 -34.83 4.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.954 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.418 ' HE2' HD23 ' A' ' 23' ' ' LEU . 52.4 m-85 -80.6 129.98 34.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.441 HG22 ' HG3' ' A' ' 112' ' ' GLN . 21.7 p -93.57 115.55 28.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.656 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.827 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.3 pp -125.76 160.31 30.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.939 0.4 . . . . 0.0 111.222 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.63 ' O ' HD12 ' A' ' 118' ' ' LEU . 0.4 OUTLIER -69.02 -170.83 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.217 -179.622 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -121.38 -43.68 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.836 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.61 -39.76 77.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 p -65.42 -29.54 70.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 17.2 t -63.74 130.04 28.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.172 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -173.93 127.1 0.38 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.435 HG12 ' HB2' ' A' ' 100' ' ' TYR . 12.2 p -117.71 130.05 73.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -115.88 162.8 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.734 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 14' ' ' PHE . 48.0 t -82.06 74.79 9.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.056 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 58.05 159.6 0.03 OUTLIER Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.818 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 22.4 Cg_exo -64.95 114.45 2.8 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.689 2.259 . . . . 0.0 112.096 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 20.0 t -159.34 -64.0 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 9.4 t 69.0 -67.62 0.21 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.937 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.507 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.4 p -139.03 -47.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.82 0.343 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -60.73 104.02 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.86 76.32 0.12 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.479 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 m -132.65 -61.97 0.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.794 0.331 . . . . 0.0 110.931 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -64.32 130.15 42.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 108.77 48.82 0.82 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.473 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 28.2 t -142.8 152.54 42.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.772 0.32 . . . . 0.0 110.952 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m -176.66 -179.52 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 65.89 43.27 3.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.1 p -95.51 -178.96 4.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.822 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.713 ' OE1' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -159.44 131.97 6.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.961 0.41 . . . . 0.0 111.052 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.633 ' HB3' HD11 ' A' ' 84' ' ' LEU . 53.5 m170 -130.18 117.14 19.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.794 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 127' ' ' SER . 26.9 m-85 -106.41 110.88 23.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.039 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -55.69 109.33 0.55 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.837 HD13 ' SG ' ' A' ' 85' ' ' CYS . 15.4 tp -95.16 127.58 41.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -147.52 142.0 26.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.071 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.72 ' CD2' HD22 ' A' ' 118' ' ' LEU . 19.4 p90 -176.14 115.59 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.762 179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.1 m -65.4 130.9 44.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.176 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.563 HD11 HG21 ' A' ' 81' ' ' VAL . 38.7 mt -105.31 95.98 4.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.844 179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 38.0 p -56.27 -27.2 54.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.184 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -71.51 -15.81 62.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.647 ' HG ' HG21 ' A' ' 40' ' ' THR . 1.6 tm? -114.18 91.76 24.46 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.675 0.274 . . . . 0.0 111.085 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.429 ' O ' HD13 ' A' ' 23' ' ' LEU . 34.1 Cg_exo -59.63 162.08 16.22 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.525 2.15 . . . . 0.0 112.074 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 71' ' ' SER . 9.0 t80 -116.09 97.79 6.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.961 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.6 m -98.02 -176.53 3.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -70.62 -29.12 65.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.952 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.736 ' HA ' HG21 ' A' ' 34' ' ' THR . 2.6 m-20 -59.46 -50.12 75.16 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.004 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.4 mm -56.92 -29.02 29.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.075 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.433 ' HB3' ' O ' ' A' ' 27' ' ' GLN . . . -59.94 -20.4 57.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.266 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -128.19 119.85 20.99 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.813 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -55.25 -22.78 34.15 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.446 2.097 . . . . 0.0 112.444 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 41.9 t -56.2 -28.85 59.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.17 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.736 HG21 ' HA ' ' A' ' 28' ' ' ASP . 73.4 p -71.97 160.11 33.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.943 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' HG3' ' A' ' 39' ' ' GLN . 1.6 m -83.05 -28.11 29.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.992 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.41 -41.27 98.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.747 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -61.57 -51.7 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.9 -34.1 71.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.46 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.7 mt-30 -58.85 -62.14 2.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.041 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.647 HG21 ' HG ' ' A' ' 23' ' ' LEU . 76.2 m -60.9 -33.17 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.993 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -57.48 -42.96 83.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.091 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -78.16 -29.65 48.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.032 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.2 t -65.62 -47.19 76.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.9 mt -70.77 -47.46 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.65 -30.7 67.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -80.86 -37.06 30.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.041 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -72.38 -33.33 67.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.051 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 14.5 mt -71.1 -39.3 72.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.884 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -57.82 -59.77 4.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.975 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -59.97 -30.51 69.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.936 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' O ' HD23 ' A' ' 51' ' ' LEU . 10.0 tt -66.59 -30.95 71.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' CD2' ' CE1' ' A' ' 61' ' ' PHE . 17.8 m-85 -75.06 -35.67 61.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -76.1 -13.14 60.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.341 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -109.37 30.29 6.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.765 0.317 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.1 p -123.2 169.58 11.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.9 t -70.61 -27.71 64.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 10.5 pt -93.79 43.32 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.191 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.97 45.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.1 m -126.44 -43.3 1.76 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.059 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.643 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 60.5 m-85 -106.12 -29.8 9.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.252 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.505 ' CE1' ' CD2' ' A' ' 52' ' ' PHE . 3.6 t80 -57.89 126.99 29.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 74.2 p -98.48 -64.49 1.03 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -170.41 -173.63 1.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -117.23 158.82 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -123.05 96.12 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.822 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 66' ' ' VAL . 7.8 p -68.69 98.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.065 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 25.1 mt -61.45 -64.15 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -168.64 -178.22 3.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.142 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -111.54 136.98 49.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -103.52 155.52 18.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.844 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 25' ' ' TYR . 41.4 t -114.22 110.08 19.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.5 m -67.85 149.92 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.164 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.6 p -113.08 80.03 1.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.868 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 41.4 t-20 -163.35 -66.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.948 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -99.16 -25.9 14.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.974 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 64.58 29.35 13.15 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -135.96 23.24 3.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.012 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -131.63 -169.83 2.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.747 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.5 m -164.46 115.93 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.983 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 113.62 4.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.371 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 20' ' ' ILE . 42.2 t -77.09 134.96 27.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 111.195 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.84 81.78 1.95 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.474 179.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -110.66 179.98 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.253 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.633 HD11 ' HB3' ' A' ' 13' ' ' HIS . 3.1 tm? -137.81 111.28 8.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.837 ' SG ' HD13 ' A' ' 16' ' ' LEU . 35.5 m -66.08 79.72 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.327 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.412 ' OD1' ' CD2' ' A' ' 13' ' ' HIS . 14.2 m-80 -68.3 139.99 55.95 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.398 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.705 ' CE2' HG11 ' A' ' 94' ' ' VAL . 7.1 m-85 -129.25 164.18 24.03 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.724 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.87 148.63 57.78 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 34.7 Cg_exo -58.92 -27.02 83.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.559 2.173 . . . . 0.0 112.339 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 90' ' ' LEU . 6.5 mp -58.24 -32.63 68.53 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.087 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.713 ' HB3' ' OE1' ' A' ' 12' ' ' GLN . . . -71.45 -178.51 2.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.29 -35.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.6 mmt180 -94.45 37.91 1.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.705 HG11 ' CE2' ' A' ' 87' ' ' PHE . 21.9 t -99.79 108.77 23.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.985 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.45 160.86 14.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.037 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.09 73.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 25.7 t -59.98 -30.82 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -61.08 -62.95 1.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.208 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.787 HG21 ' SG ' ' A' ' 85' ' ' CYS . 8.7 mt -67.46 -16.94 21.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.222 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.639 ' HB2' HG11 ' A' ' 125' ' ' VAL . 33.4 t80 -81.16 -42.29 21.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.816 0.341 . . . . 0.0 110.924 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -79.87 -29.91 40.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.135 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -74.91 -32.45 61.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -76.59 -48.93 17.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.95 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.444 HD11 ' CZ ' ' A' ' 100' ' ' TYR . 66.6 mt -61.82 -39.77 92.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 19.7 mtp85 -60.19 -36.75 78.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.017 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.8 tpp -81.11 -29.4 34.87 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 113' ' ' LEU . 57.2 p -95.45 22.24 7.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.217 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 1.8 m80 54.24 71.5 0.52 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.835 0.35 . . . . 0.0 111.209 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.0 t30 58.22 32.46 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.038 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 59.32 68.93 1.44 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 58.5 p -134.9 -45.74 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.748 0.309 . . . . 0.0 111.039 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -140.47 105.7 5.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.101 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.738 HD13 ' O ' ' A' ' 113' ' ' LEU . 1.9 tm? -78.89 97.42 5.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.502 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.041 HD12 ' HB1' ' A' ' 47' ' ' ALA . 69.2 mt 61.75 -80.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.915 -179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.402 ' N ' ' O ' ' A' ' 113' ' ' LEU . 1.4 t-20 -136.65 35.99 2.66 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.783 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -143.86 107.71 4.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.979 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 27.6 p -72.2 114.07 9.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.867 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.72 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.9 pp -128.61 160.46 32.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -80.44 160.82 25.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.065 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -97.08 -42.56 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.06 -32.4 69.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.3 p -70.34 -25.69 63.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . . . . . . . . . 41.6 t -57.51 152.59 2.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.106 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -169.83 115.96 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.639 HG11 ' HB2' ' A' ' 100' ' ' TYR . 8.2 p -120.43 79.84 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.998 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.48 147.54 24.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.092 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.426 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . 30.8 t -70.85 97.71 1.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . 55.53 -131.41 49.11 Favored Glycine 0 CA--C 1.52 0.395 0 C-N-CA 120.86 -0.686 . . . . 0.0 112.445 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -67.27 -48.87 1.5 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.329 2.019 . . . . 0.0 112.203 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 57.26 35.84 26.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.944 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 61.1 p -80.35 77.76 7.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.81 132.36 48.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.936 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.3 m -109.63 -31.34 7.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.0 46.33 0.95 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.562 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 60.35 178.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.821 0.343 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -100.09 -177.54 3.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.75 -50.4 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.477 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 12.8 t 68.28 -69.13 0.15 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.799 0.333 . . . . 0.0 110.994 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -131.02 102.26 5.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.25 156.6 16.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.983 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 60.96 179.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -142.88 168.52 19.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.798 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.814 ' HB3' HD11 ' A' ' 84' ' ' LEU . 37.8 m170 -137.62 128.16 26.68 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 -179.794 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.456 ' CD2' ' CD1' ' A' ' 99' ' ' ILE . 89.4 m-85 -117.78 109.65 16.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.558 179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -50.87 105.89 0.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.395 -179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.655 HD23 ' OG ' ' A' ' 83' ' ' SER . 20.5 tp -85.72 138.41 32.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.766 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -152.63 134.72 14.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 111.358 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.796 ' CD2' HD22 ' A' ' 118' ' ' LEU . 26.9 p90 -176.81 113.18 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.645 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 85.2 m -74.74 138.73 42.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.238 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.653 HD11 HG21 ' A' ' 81' ' ' VAL . 15.5 mt -101.08 146.43 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.906 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 77.0 p -108.47 33.22 4.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.49 ' H ' HG22 ' A' ' 20' ' ' ILE . 20.5 t30 -153.62 30.09 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.827 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.473 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.4 OUTLIER -136.83 94.49 12.92 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.766 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 23' ' ' LEU . 29.1 Cg_endo -63.2 126.89 18.79 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.409 2.073 . . . . 0.0 112.353 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.4 ' CD1' ' N ' ' A' ' 26' ' ' SER . 15.0 t80 -85.56 156.86 20.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.914 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.4 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 37.8 m -161.72 172.45 16.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.67 -31.05 69.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.861 ' HA ' HG21 ' A' ' 34' ' ' THR . 65.4 m-20 -60.58 -43.36 97.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.723 HD11 ' HG3' ' A' ' 36' ' ' LYS . 37.3 mm -64.6 -15.41 17.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.437 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.78 20.31 10.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.544 -0.298 . . . . 0.0 111.268 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -162.44 115.86 1.16 Allowed Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.721 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HA ' ' CG ' ' A' ' 37' ' ' TYR . 35.6 Cg_exo -59.31 -18.39 45.06 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.436 2.09 . . . . 0.0 112.504 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 t -62.04 -31.9 72.35 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.089 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.861 HG21 ' HA ' ' A' ' 28' ' ' ASP . 19.5 p -77.73 166.02 23.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.072 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.458 HG22 ' HG3' ' A' ' 39' ' ' GLN . 8.2 m -83.06 -37.11 24.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.723 ' HG3' HD11 ' A' ' 29' ' ' ILE . 16.3 tptm -54.22 -28.55 41.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.44 ' CG ' ' HA ' ' A' ' 32' ' ' PRO . 55.4 t80 -67.22 -59.47 3.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -62.94 -35.82 81.39 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.458 ' HG3' HG22 ' A' ' 35' ' ' THR . 1.1 mt-30 -60.07 -52.54 64.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.816 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 62.7 m -72.86 -38.58 66.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.62 ' CG ' HG11 ' A' ' 66' ' ' VAL . 22.9 tttt -65.62 -32.93 74.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -82.14 -32.57 30.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -61.08 -56.45 20.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 45.6 mt -62.34 -42.01 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.922 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.43 -30.88 68.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.647 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -76.94 -41.54 42.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.772 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.087 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -65.92 -44.67 84.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.021 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD22 ' CZ ' ' A' ' 52' ' ' PHE . 13.7 mt -62.0 -39.58 92.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.814 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -63.27 -32.89 74.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.841 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -80.97 -23.73 38.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.748 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.43 HD13 ' CE1' ' A' ' 103' ' ' PHE . 7.0 tt -78.04 -36.73 48.13 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.85 0.357 . . . . 0.0 110.933 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.515 ' CZ ' HD22 ' A' ' 48' ' ' LEU . 13.6 m-85 -68.2 -50.66 52.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.968 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -23.95 57.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -100.42 -25.12 14.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.175 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 97.7 p -56.2 162.39 2.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.147 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.7 p -58.51 -22.15 54.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 32.6 pt -110.56 55.33 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 121.026 0.441 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.6 25.25 2.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.332 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' CD1' ' A' ' 60' ' ' TYR . 2.6 p -129.22 19.83 5.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.807 0.336 . . . . 0.0 110.98 179.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.445 ' HB3' ' HB2' ' A' ' 91' ' ' ALA . 20.4 m-85 -152.23 -45.71 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.748 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.499 ' CE1' ' CE2' ' A' ' 52' ' ' PHE . 2.6 t80 -54.77 115.79 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 46.9 p -76.77 -73.28 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -159.33 -174.02 4.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 7.5 p -116.44 141.61 47.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.81 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -115.17 93.7 4.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.62 HG11 ' CG ' ' A' ' 41' ' ' LYS . 12.0 p -68.56 115.46 6.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.973 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 37.0 mt -74.15 -66.2 0.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -162.13 -169.87 2.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -122.5 131.47 53.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -94.15 115.02 27.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.7 t -80.13 111.17 16.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 75' ' ' ASN . 7.6 m -70.8 140.02 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.079 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.7 m -93.96 -28.11 15.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.02 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -57.36 -36.13 70.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.601 ' O ' HG23 ' A' ' 72' ' ' VAL . 0.2 OUTLIER -152.95 128.46 10.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.864 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -82.52 75.81 9.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -164.86 -43.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.572 ' HB2' HG21 ' A' ' 72' ' ' VAL . 22.5 m170 -78.8 176.35 9.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 83.3 m -161.71 133.6 5.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.37 119.46 4.87 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.653 HG21 HD11 ' A' ' 20' ' ' ILE . 43.9 t -87.35 93.79 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 111.23 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.54 87.44 7.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.495 179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.655 ' OG ' HD23 ' A' ' 16' ' ' LEU . 1.6 p -108.94 -177.33 3.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' A' ' 13' ' ' HIS . 2.9 tm? -137.65 119.99 15.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.83 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' HD13 ' A' ' 16' ' ' LEU . 4.8 m -70.03 84.07 0.51 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.624 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.548 ' ND2' HD12 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -72.95 128.36 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.016 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.596 ' CE1' HD11 ' A' ' 99' ' ' ILE . 6.1 m-85 -117.34 173.19 6.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.955 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.42 166.04 12.49 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -63.06 -33.45 73.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.518 2.146 . . . . 0.0 112.261 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 3.3 mp -63.63 -25.87 68.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.999 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.445 ' HB2' ' HB3' ' A' ' 60' ' ' TYR . . . -56.68 143.52 35.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.935 0.398 . . . . 0.0 111.208 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.461 ' O ' HG23 ' A' ' 94' ' ' VAL . 8.3 ttt-85 -89.13 -163.58 1.01 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.792 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -66.95 73.56 0.1 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.914 0.388 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . 0.464 HG21 ' CE2' ' A' ' 87' ' ' PHE . 20.1 t -70.02 152.07 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.088 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -123.31 159.29 29.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -59.01 -30.38 67.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.94 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.448 HG12 ' HG3' ' A' ' 101' ' ' GLU . 21.6 t -67.9 -29.04 43.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.21 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.18 -63.0 1.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.596 HD11 ' CE1' ' A' ' 87' ' ' PHE . 10.8 mt -65.49 -20.82 28.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.275 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -80.97 -44.21 18.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.9 0.381 . . . . 0.0 110.937 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.448 ' HG3' HG12 ' A' ' 97' ' ' VAL . 3.0 mt-10 -68.12 -50.19 56.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.85 -41.33 86.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.037 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.441 ' O ' HG23 ' A' ' 107' ' ' THR . 32.6 t80 -61.06 -32.62 72.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.677 HD13 ' NH2' ' A' ' 120' ' ' ARG . 51.2 mt -77.51 -30.21 52.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.88 -29.98 66.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.005 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.6 tpp -91.57 -23.58 19.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 113' ' ' LEU . 68.6 p -95.66 22.72 6.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.205 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 40.7 m80 52.76 66.97 1.07 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.927 0.394 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.2 t30 60.65 30.48 19.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.76 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.92 83.42 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.7 p -157.17 -45.78 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.801 0.334 . . . . 0.0 111.033 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -133.98 112.29 11.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.112 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.659 HD13 ' O ' ' A' ' 113' ' ' LEU . 3.0 tm? -88.16 95.51 10.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.717 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.087 HD12 ' HB1' ' A' ' 47' ' ' ALA . 40.1 mt 61.32 -80.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.066 -179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -134.73 33.32 3.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.876 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 70.3 m-85 -145.64 117.32 8.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.5 p -79.81 116.83 20.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.796 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.0 pp -129.02 160.52 32.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.936 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.549 ' O ' HG23 ' A' ' 123' ' ' VAL . 0.6 OUTLIER -77.52 156.41 30.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.184 -179.637 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.677 ' NH2' HD13 ' A' ' 104' ' ' LEU . 35.3 ttt-85 -88.34 -47.92 8.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.908 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 17.1 mmtt -57.76 -32.95 67.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 97.2 p -68.24 -31.08 70.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.785 HG22 ' HB2' ' A' ' 18' ' ' PHE . 24.8 t -65.46 138.54 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -171.04 135.48 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.836 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 125' ' ' VAL . 14.9 p -131.8 124.38 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.47 163.37 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.1 p -82.35 119.37 24.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -65.67 -65.28 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -68.45 -167.73 0.19 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.746 2.297 . . . . 0.0 112.213 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.0 m 59.97 166.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 13.5 p -150.58 141.73 23.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.918 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.494 -179.963 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.78 -40.44 3.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.26 -70.0 0.14 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.03 81.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.464 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -95.4 -179.79 4.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -132.34 174.67 10.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.74 106.22 0.25 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -140.52 38.63 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.85 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 m -109.74 -31.16 7.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.67 -172.72 3.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 10.7 t 61.05 156.05 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -141.55 156.27 45.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.573 ' HB3' HD11 ' A' ' 84' ' ' LEU . 7.4 m170 -125.92 121.04 32.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.761 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.428 ' O ' HD13 ' A' ' 84' ' ' LEU . 71.2 m-85 -109.27 106.51 16.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.965 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.77 ' HA ' HD22 ' A' ' 84' ' ' LEU . 2.8 m120 -51.48 111.22 0.55 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.422 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.823 HD13 ' SG ' ' A' ' 85' ' ' CYS . 19.8 tp -96.25 127.0 41.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.533 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -143.75 141.82 30.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.029 0.442 . . . . 0.0 111.416 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.76 ' CD2' HD22 ' A' ' 118' ' ' LEU . 27.8 p90 -178.83 121.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.595 179.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.2 m -75.17 137.37 41.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 -179.534 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.702 HD11 HG21 ' A' ' 81' ' ' VAL . 22.0 mt -106.03 119.18 54.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.035 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.416 ' HA ' ' CD2' ' A' ' 78' ' ' HIS . 30.2 p -75.62 -24.65 56.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.059 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -92.57 45.36 1.19 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.835 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -161.6 89.55 1.51 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.75 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.4 126.84 16.25 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.486 2.124 . . . . 0.0 112.335 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -78.02 91.87 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -110.32 177.0 4.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -59.15 -30.5 68.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.941 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.402 ' HB3' ' CB ' ' A' ' 36' ' ' LYS . 77.4 m-20 -60.78 -30.09 69.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.619 HG22 ' O ' ' A' ' 29' ' ' ILE . 28.6 mm -90.15 12.87 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.43 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -126.16 20.71 7.49 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.762 0.315 . . . . 0.0 111.184 179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -157.53 109.02 1.83 Allowed Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.657 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.423 ' HA ' ' CD1' ' A' ' 37' ' ' TYR . 50.8 Cg_exo -54.86 -21.56 26.54 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.426 2.084 . . . . 0.0 112.551 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 27.9 t -58.39 -28.52 65.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.94 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 19.9 p -86.54 164.97 16.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.803 HG22 ' HG3' ' A' ' 39' ' ' GLN . 3.7 m -83.1 -30.51 27.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.402 ' CB ' ' HB3' ' A' ' 28' ' ' ASP . 0.1 OUTLIER -57.76 -38.74 75.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.113 -179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.423 ' CD1' ' HA ' ' A' ' 32' ' ' PRO . 58.4 t80 -70.26 -46.92 63.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -70.63 -31.37 68.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.803 ' HG3' HG22 ' A' ' 35' ' ' THR . 7.9 mt-30 -71.69 -57.62 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.409 HG22 HD11 ' A' ' 44' ' ' ILE . 18.8 m -57.43 -42.42 82.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.055 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.9 tttp -59.99 -50.77 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -35.68 79.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.943 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -48.61 81.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.409 HD11 HG22 ' A' ' 40' ' ' THR . 18.3 mt -69.01 -50.48 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.95 -38.12 81.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -73.38 -39.78 64.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.908 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 1.051 ' HB1' HD12 ' A' ' 114' ' ' LEU . . . -67.09 -38.49 85.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 52' ' ' PHE . 51.0 mt -65.06 -49.54 69.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.68 -31.26 72.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.45 -29.42 46.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.596 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -71.38 -40.55 70.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.501 ' CE1' ' CZ ' ' A' ' 61' ' ' PHE . 6.1 m-85 -64.52 -44.36 91.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.926 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.78 -28.12 60.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.028 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -97.63 -23.45 15.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.075 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.451 ' HA ' ' HE1' ' A' ' 106' ' ' MET . 18.9 p -54.77 168.08 0.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.062 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.1 t -64.71 -31.63 72.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.781 HG23 ' OE2' ' A' ' 102' ' ' GLU . 33.9 pt -96.95 47.28 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.084 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.7 pttt -82.74 59.31 4.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.0 t -151.92 -46.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -94.53 -30.27 14.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.501 ' CZ ' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -59.89 114.05 2.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 -179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.2 t -80.27 -68.16 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -177.3 179.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.18 158.27 17.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.958 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLN . . . . . . . . . . . . . 48.3 tp60 -124.46 96.79 5.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 66' ' ' VAL . 9.6 p -67.89 104.84 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.957 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.518 HD12 ' OD1' ' A' ' 82' ' ' ASP . 14.3 mt -72.39 -61.65 1.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -175.1 174.87 2.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -101.32 137.59 39.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.819 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -101.17 103.5 14.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p -58.79 154.56 14.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.981 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.8 m -122.55 145.55 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 m -91.95 -35.56 13.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -59.52 -69.13 0.22 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -119.68 97.94 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -54.57 -27.97 42.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -57.72 -27.85 63.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 21' ' ' THR . 43.3 m170 -89.71 167.88 12.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.947 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 85.0 m -155.25 122.28 5.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.73 134.78 19.49 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.603 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.702 HG21 HD11 ' A' ' 20' ' ' ILE . 51.3 t -103.24 125.16 57.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.994 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.518 ' OD1' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER -110.43 84.48 1.94 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.702 179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.7 p -109.8 172.8 6.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.046 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.77 HD22 ' HA ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -134.42 111.81 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.084 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.823 ' SG ' HD13 ' A' ' 16' ' ' LEU . 15.0 m -70.92 75.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.48 179.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -70.96 155.12 41.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 -179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.477 ' CZ ' ' CD2' ' A' ' 61' ' ' PHE . 15.6 m-85 -141.73 156.02 45.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.67 166.29 7.77 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.36 -40.64 7.87 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.545 2.163 . . . . 0.0 112.209 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.3 -28.74 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -57.57 100.36 0.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.55 30.51 7.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -163.76 69.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' VAL . . . . . . . . . . . . . 21.4 t -136.8 100.75 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.129 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.83 159.47 27.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 32.0 ptt-85 -66.59 -31.13 71.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -73.66 -27.84 23.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.47 -59.83 4.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.209 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.69 HG21 ' SG ' ' A' ' 85' ' ' CYS . 10.5 mt -65.61 -23.89 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.527 ' CE2' HD11 ' A' ' 104' ' ' LEU . 57.9 t80 -75.61 -43.5 47.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.95 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -74.36 -45.17 48.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.144 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.781 ' OE2' HG23 ' A' ' 57' ' ' ILE . 33.5 mt-10 -63.45 -30.62 71.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.004 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' PHE . . . . . 0.573 ' O ' HG23 ' A' ' 107' ' ' THR . 33.6 t80 -75.06 -40.0 60.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.527 HD11 ' CE2' ' A' ' 100' ' ' TYR . 8.8 mt -71.75 -32.84 68.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.081 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 9.0 ttt180 -66.53 -34.02 76.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.451 ' HE1' ' HA ' ' A' ' 55' ' ' SER . 4.1 tpp -85.31 -22.23 28.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.215 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.635 HG22 ' HA ' ' A' ' 113' ' ' LEU . 58.2 p -96.61 32.9 1.93 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.1 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 57.73 57.34 4.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.95 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 61.62 40.31 13.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.935 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 64.09 76.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 75.2 p -157.24 -45.57 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.714 0.292 . . . . 0.0 111.027 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -137.0 115.36 11.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.246 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.713 HD13 ' O ' ' A' ' 113' ' ' LEU . 2.3 tm? -85.81 94.87 9.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.632 179.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 1.051 HD12 ' HB1' ' A' ' 47' ' ' ALA . 83.6 mt 62.37 -79.5 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.982 -179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -133.96 42.4 2.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.981 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.404 ' HE1' HD23 ' A' ' 23' ' ' LEU . 37.9 m-85 -154.89 117.23 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.945 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 19.6 p -81.75 113.73 19.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.76 HD22 ' CD2' ' A' ' 18' ' ' PHE . 3.5 pp -128.02 160.05 33.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.636 ' O ' HD12 ' A' ' 118' ' ' LEU . 2.1 t70 -65.01 173.61 2.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.028 -179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -112.2 -49.9 2.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.56 -38.23 80.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.0 t -59.57 -30.42 68.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' VAL . . . . . 0.597 HG22 ' HB2' ' A' ' 18' ' ' PHE . 19.7 t -63.26 139.38 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.086 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -165.52 126.3 1.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.865 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.522 ' O ' HG13 ' A' ' 125' ' ' VAL . 11.9 p -126.69 117.8 49.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.82 165.38 20.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -75.1 111.12 10.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . -59.12 -102.43 0.01 OUTLIER Glycine 0 CA--C 1.52 0.366 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.518 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -71.51 -8.43 23.25 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.536 2.157 . . . . 0.0 112.597 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.7 155.69 0.1 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.916 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' SER . . . . . . . . . . . . . 6.2 t -70.21 74.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.866 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.523 179.98 . . . . . . . . 0 0 . 1 stop_ save_