data_2jqt_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 2jqt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -66.37 -37.91 86.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -59.1 -37.77 77.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.88 -27.03 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mt -61.75 131.78 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.9 m -112.61 -33.74 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -84.46 137.04 33.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mt -68.52 -27.52 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -43.23 79.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -26.03 64.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.01 -55.45 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.28 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -50.26 28.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.65 -31.92 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -70.38 -58.99 3.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.76 -31.27 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -71.59 -53.87 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.27 -30.57 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.98 -25.05 61.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.06 -27.11 18.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 p -63.14 -74.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.004 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.28 -33.35 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.8 m 62.13 28.75 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -98.97 169.95 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.08 -24.67 65.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -51.36 -58.46 6.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.454 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.45 -30.7 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.49 -41.41 84.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.421 HD13 HG22 ' A' ' 37' ' ' ILE . 18.9 tt -75.21 -28.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -78.01 -48.52 15.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -68.64 -45.18 72.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -47.04 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.73 95.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.01 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.96 -42.95 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -46.46 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -42.09 98.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -42.31 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.78 -35.6 67.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -41.06 82.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.44 -45.2 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.405 ' CD1' HD11 ' A' ' 13' ' ' ILE . 1.1 t80 -61.28 -32.16 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -71.62 -32.63 68.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -72.49 -14.72 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.405 HD11 ' CD1' ' A' ' 10' ' ' PHE . 41.4 mt -56.99 143.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.352 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -104.64 -53.43 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.3 t -84.55 137.07 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.55 -25.32 64.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.38 -33.89 66.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -60.95 -24.17 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.06 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.64 -64.48 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -33.78 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.765 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -63.04 -32.12 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.791 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' CE ' ' A' ' 39' ' ' MET . 1.8 t80 -62.48 -49.47 75.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -77.72 -39.53 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -60.65 -53.91 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 tp -58.83 -31.27 68.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -75.31 -30.96 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.15 34.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.13 -62.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.46 -26.4 13.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t 45.54 38.06 3.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -108.87 157.54 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.62 -24.69 61.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -57.33 -45.26 84.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.135 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -30.73 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -45.16 73.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.8 tt -75.22 -33.35 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -71.0 -51.85 23.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CD1' ' A' ' 23' ' ' TYR . 2.3 mtp -58.73 -47.3 85.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -52.08 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -59.74 -49.3 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.21 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.66 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.49 -51.41 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -46.47 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -63.87 -47.34 81.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -45.13 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.61 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.05 -30.79 71.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.53 -43.02 73.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CD2' HD21 ' A' ' 22' ' ' LEU . 2.4 t80 -60.29 -31.08 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -57.84 -41.18 81.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -26.61 65.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -61.36 102.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -93.87 -40.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m -88.24 144.51 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.27 -31.64 71.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -59.52 -33.14 71.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -24.31 61.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -62.0 1.94 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -58.64 -30.88 67.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -40.07 84.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 ' CD2' ' A' ' 10' ' ' PHE . 8.9 tt -66.41 -42.82 87.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -60.5 -43.89 96.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.75 -37.29 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -64.09 -52.64 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.28 -42.11 94.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -62.8 -27.31 69.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -97.24 34.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.31 -46.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.27 -39.64 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 t 43.35 69.64 0.38 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -161.45 169.24 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -59.8 -24.73 64.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -54.79 -51.05 66.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -54.16 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.9 tt -59.6 -36.91 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -73.9 -48.56 29.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.3 -40.78 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.43 -47.34 86.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -63.3 -49.23 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.4 -35.83 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.03 -47.47 51.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -46.92 88.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -60.59 -45.91 92.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -64.75 -51.57 61.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -59.86 -44.16 94.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.55 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.45 -45.02 95.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.62 -35.71 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.948 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.712 0.291 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 3.8 t80 -59.43 -56.73 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -30.87 68.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -27.49 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mt -62.95 137.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -31.6 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -87.97 137.08 32.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.53 -29.17 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.63 -44.09 80.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -59.99 -28.01 67.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.59 -57.95 10.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.65 -38.56 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -42.46 98.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tt -65.97 -36.25 82.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -60.3 -58.64 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.41 -31.1 70.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -61.75 -53.84 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -76.88 -31.55 56.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.32 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -30.13 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.4 p -84.24 -61.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mp -59.81 -40.0 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t 45.11 30.72 0.64 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -134.19 154.99 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.817 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -53.39 -25.21 14.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -32.03 67.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.76 -33.19 75.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.41 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -69.56 -54.03 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 tt -61.07 -39.95 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -62.57 -53.5 53.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -40.21 91.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CE1' HD22 ' A' ' 36' ' ' LEU . 3.3 m-85 -60.11 -44.4 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -63.58 -49.27 74.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . . . -66.92 -42.4 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.06 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -60.38 -42.67 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.71 -46.68 88.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -66.78 -39.25 87.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -43.58 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -45.66 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -39.69 94.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.97 -40.24 94.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 -179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CD2' HD12 ' A' ' 13' ' ' ILE . 52.0 t80 -71.13 -36.15 72.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt-85 -60.32 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.782 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -61.39 -23.76 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.211 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.422 HD12 ' CD2' ' A' ' 10' ' ' PHE . 42.4 mt -58.34 147.26 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.967 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 p -113.33 -53.43 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -75.58 136.94 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.056 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -26.0 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -56.35 -37.02 69.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.98 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -58.34 -26.94 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.3 -58.58 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.96 -32.08 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -64.21 -49.73 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.05 -38.7 89.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.42 ' CD2' ' HG2' ' A' ' 39' ' ' MET . 1.8 t80 -60.33 -56.8 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -31.72 69.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -53.63 8.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.33 -46.33 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.5 -29.54 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -85.88 -32.1 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.7 p -86.43 -72.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -59.86 -54.5 45.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.3 m 60.56 27.99 17.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -117.47 171.37 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.61 -24.69 66.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.049 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -53.07 -51.69 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.251 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.2 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -54.16 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -61.85 -29.49 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -77.53 -51.13 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.42 ' HG2' ' CD2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.26 -46.47 88.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -49.62 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.35 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.45 -51.92 56.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -59.17 -38.63 80.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.32 -51.03 16.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -51.28 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -59.6 -43.72 93.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.25 93.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.68 -39.98 56.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tp -66.61 -46.59 75.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.015 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -69.9 -52.02 28.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -58.18 -24.77 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -54.33 -28.53 43.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.053 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -65.16 126.33 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.027 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -108.47 15.27 24.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -135.81 137.12 41.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -31.04 70.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.09 -50.47 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.15 65.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.016 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.12 -52.67 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -63.72 -29.97 71.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.998 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -50.62 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -63.26 -59.23 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -66.67 -29.88 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -58.65 -53.79 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -28.83 61.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -70.09 -25.81 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.38 -27.27 20.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -79.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.976 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.92 -43.1 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.14 25.27 15.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -101.25 162.38 12.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.11 -24.6 65.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -48.53 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.241 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.22 -31.56 69.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.986 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -54.1 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.422 HG23 HD11 ' A' ' 37' ' ' ILE . 15.8 tt -63.68 -30.41 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -54.11 28.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -30.17 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.958 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -52.64 64.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.31 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.89 96.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -48.85 58.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.8 -51.28 70.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.06 -47.55 85.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.91 -51.63 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -60.74 -47.89 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.43 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.35 -30.53 67.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.06 -27.89 60.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.477 -179.663 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' A' ' 42' ' ' ALA . 5.6 t80 -65.4 -56.71 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -29.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -64.07 -24.97 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.4 mt -59.32 141.31 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 p -111.24 -30.33 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.53 137.11 32.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.53 -26.67 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.46 -33.53 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -26.78 68.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -30.96 69.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -49.93 66.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tt -69.25 -35.82 76.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.57 -57.81 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -31.31 71.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.43 -53.76 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -69.88 -30.75 68.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -83.99 -36.73 22.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 p -74.39 -54.45 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -84.12 -54.86 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 m 60.94 42.59 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.15 171.41 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.21 -29.32 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -58.43 -58.53 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -61.77 -30.57 70.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -43.48 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -75.15 -30.14 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -72.66 -31.57 65.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -84.0 -40.31 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.17 -45.27 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -59.93 -49.36 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.431 ' CB ' ' CD1' ' A' ' 10' ' ' PHE . . . -72.08 -32.43 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.03 -53.93 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.5 -45.68 92.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -63.27 -47.53 81.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.12 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -68.03 -49.99 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.15 86.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -33.42 74.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.29 -47.63 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.868 0.366 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CD1' HD13 ' A' ' 22' ' ' LEU . 9.9 m-85 -64.26 -27.5 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -54.66 -42.77 71.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -53.21 -26.58 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -62.99 107.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -107.86 15.37 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.402 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 137.04 54.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -36.7 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.94 -41.14 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 m -59.02 -26.79 64.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -61.21 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.44 -40.75 92.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 10' ' ' PHE . 7.1 tt -66.77 -31.21 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.95 -47.24 86.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -77.65 -31.12 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -71.05 -53.76 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -61.85 -32.27 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -78.73 -30.14 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -98.42 32.76 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.75 -74.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.74 -29.99 12.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m 62.96 45.3 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.36 164.59 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.05 -24.65 66.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -55.63 -47.86 75.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.304 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -58.26 -32.37 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.31 -53.94 20.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.99 -29.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -75.95 -52.46 10.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -59.22 -50.93 72.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -34.32 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -73.99 -43.73 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -47.91 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.78 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.73 -47.31 86.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -66.57 -36.7 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -44.9 72.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -59.92 -58.73 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.0 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.14 -32.16 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.3 tp -74.9 -34.96 62.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.418 -179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.41 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.0 t80 -73.77 -34.82 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -59.48 -38.63 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -27.82 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 mt -59.94 134.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -113.51 -35.39 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -77.7 136.97 38.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.55 -30.63 69.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -56.45 -38.26 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.134 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -29.88 68.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.31 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -59.4 -40.85 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.66 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 39' ' ' MET . 12.1 t80 -61.41 -59.28 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -63.09 -53.77 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -75.59 -36.13 60.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -29.5 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.35 -38.67 11.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.4 p -78.6 -76.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.88 99.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.2 t 44.96 30.89 0.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.348 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.48 160.07 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.52 -24.74 61.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -56.93 -37.23 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -30.75 67.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.023 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -40.44 82.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.24 -27.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.294 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -82.01 -52.44 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.203 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.409 ' HG2' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -57.14 -50.66 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.254 -179.611 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.5 -51.85 66.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -57.89 -49.33 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -68.68 -49.9 55.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.315 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.51 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.0 -38.8 80.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.021 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.14 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -46.08 85.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -59.26 -49.17 78.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.74 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -47.79 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.14 -40.08 94.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.44 -47.43 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -58.7 -27.03 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -66.72 -27.67 67.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.2 mt -69.11 137.89 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -32.31 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -86.38 137.09 32.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.43 -26.81 65.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.33 -42.19 77.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -26.71 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.98 -51.88 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.81 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -65.98 -50.63 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.4 -30.64 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -68.06 -56.31 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.66 -41.68 91.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -59.82 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.007 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.83 -33.28 73.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -75.6 -33.51 60.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -98.4 31.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 p -123.61 -65.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.89 -32.21 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m 60.17 79.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.51 170.43 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.94 -30.35 70.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -37.44 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -42.98 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.411 HD21 ' CE2' ' A' ' 40' ' ' TYR . 4.2 tt -66.66 -45.6 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.266 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.79 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.213 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -67.15 -45.81 75.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -44.05 96.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.411 ' CE2' HD21 ' A' ' 36' ' ' LEU . 2.2 m-85 -63.27 -44.13 96.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.15 -49.43 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.28 -44.13 63.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.78 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -60.62 -47.28 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.51 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -42.26 93.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.94 91.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.96 -43.36 58.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.823 0.344 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.0 p -113.03 33.1 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.54 138.34 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -128.69 50.37 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -81.76 129.25 34.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . 0.407 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -63.55 -21.41 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -55.03 -31.02 60.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.839 0.352 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.0 mt -63.28 -38.97 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -35.37 71.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -66.37 -37.91 86.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -59.1 -37.77 77.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.88 -27.03 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.5 mt -61.75 131.78 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.9 m -112.61 -33.74 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -84.46 137.04 33.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mt -68.52 -27.52 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -43.23 79.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.15 -26.03 64.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.01 -55.45 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.28 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -50.26 28.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.65 -31.92 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -70.38 -58.99 3.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.76 -31.27 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -71.59 -53.87 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.407 HD23 ' CZ ' ' A' ' 6' ' ' TYR . 4.4 mm? -71.27 -30.57 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.98 -25.05 61.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.06 -27.11 18.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 6.7 p -63.14 -74.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.004 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.28 -33.35 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.8 m 62.13 28.75 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -98.97 169.95 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.08 -24.67 65.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -51.36 -58.46 6.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.454 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.45 -30.7 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.49 -41.41 84.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.421 HD13 HG22 ' A' ' 37' ' ' ILE . 18.9 tt -75.21 -28.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -78.01 -48.52 15.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -68.64 -45.18 72.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -47.04 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.69 -44.73 95.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.01 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.96 -42.95 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -46.46 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -42.09 98.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -42.31 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.78 -35.6 67.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -41.06 82.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.44 -45.2 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.4 p -71.78 -34.03 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.47 29.2 5.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.27 -91.31 1.35 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.95 118.1 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -65.69 135.73 55.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.769 0.318 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -108.78 146.01 34.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtp . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -58.53 4.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.9 t -127.69 144.21 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.51 103.62 12.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.62 -174.75 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -59.75 -28.65 67.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.53 -30.71 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.04 -35.99 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -53.17 23.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.405 ' CD1' HD11 ' A' ' 13' ' ' ILE . 1.1 t80 -61.28 -32.16 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -71.62 -32.63 68.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -72.49 -14.72 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.405 HD11 ' CD1' ' A' ' 10' ' ' PHE . 41.4 mt -56.99 143.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.352 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -104.64 -53.43 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.3 t -84.55 137.07 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.55 -25.32 64.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.38 -33.89 66.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -60.95 -24.17 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.06 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.64 -64.48 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -33.78 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.765 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.3 tt -63.04 -32.12 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.791 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' CE ' ' A' ' 39' ' ' MET . 1.8 t80 -62.48 -49.47 75.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -77.72 -39.53 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -60.65 -53.91 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 tp -58.83 -31.27 68.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -75.31 -30.96 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.15 34.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.13 -62.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.1 mt -101.46 -26.4 13.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.9 t 45.54 38.06 3.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.332 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -108.87 157.54 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.62 -24.69 61.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -57.33 -45.26 84.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.135 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -30.73 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -45.16 73.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.8 tt -75.22 -33.35 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -71.0 -51.85 23.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CD1' ' A' ' 23' ' ' TYR . 2.3 mtp -58.73 -47.3 85.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -52.08 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -59.74 -49.3 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.21 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.66 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.49 -51.41 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -46.47 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -63.87 -47.34 81.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.33 -45.13 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.61 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.05 -30.79 71.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.53 -43.02 73.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.86 -54.28 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -66.29 -32.06 73.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.35 -97.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.551 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.44 143.08 9.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 60.62 107.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.98 -63.06 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.929 0.395 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 t -80.2 148.18 30.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.03 136.95 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 120.73 29.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -162.17 84.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -68.89 -30.64 69.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.57 -31.03 69.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -41.98 89.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.812 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -64.97 -48.48 73.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.424 ' CD2' HD21 ' A' ' 22' ' ' LEU . 2.4 t80 -60.29 -31.08 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -57.84 -41.18 81.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -26.61 65.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mm -61.36 102.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -93.87 -40.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m -88.24 144.51 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.27 -31.64 71.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -59.52 -33.14 71.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -24.31 61.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -62.0 1.94 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -58.64 -30.88 67.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -40.07 84.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 ' CD2' ' A' ' 10' ' ' PHE . 8.9 tt -66.41 -42.82 87.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -60.5 -43.89 96.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.75 -37.29 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -64.09 -52.64 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 16.3 mt -60.28 -42.11 94.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -62.8 -27.31 69.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -97.24 34.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.31 -46.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.27 -39.64 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 t 43.35 69.64 0.38 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -161.45 169.24 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -59.8 -24.73 64.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -54.79 -51.05 66.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -54.16 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.9 tt -59.6 -36.91 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -73.9 -48.56 29.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.3 -40.78 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.43 -47.34 86.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -63.3 -49.23 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.4 -35.83 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.03 -47.47 51.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -46.92 88.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -60.59 -45.91 92.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -64.75 -51.57 61.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -59.86 -44.16 94.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.55 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.45 -45.02 95.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.62 -35.71 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 t -80.1 -32.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -31.89 71.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.27 -144.38 15.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.13 61.65 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.98 31.61 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -144.63 162.3 37.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.0 p90 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.779 0.323 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m -80.44 -60.91 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.9 m -90.93 164.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -95.91 -178.39 4.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.37 99.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -26.55 66.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.25 -35.92 65.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -40.95 96.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -33.54 69.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 42' ' ' ALA . 3.8 t80 -59.43 -56.73 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -30.87 68.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -27.49 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mt -62.95 137.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -31.6 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -87.97 137.08 32.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.53 -29.17 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.63 -44.09 80.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -59.99 -28.01 67.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.59 -57.95 10.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.65 -38.56 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -42.46 98.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.6 tt -65.97 -36.25 82.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -60.3 -58.64 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.41 -31.1 70.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 38.7 m170 -61.75 -53.84 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.0 mp -76.88 -31.55 56.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.32 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -30.13 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 20.4 p -84.24 -61.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.2 mp -59.81 -40.0 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t 45.11 30.72 0.64 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -134.19 154.99 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.817 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -53.39 -25.21 14.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -32.03 67.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.76 -33.19 75.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.41 HD22 ' CE1' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -69.56 -54.03 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.4 tt -61.07 -39.95 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -62.57 -53.5 53.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.91 -40.21 91.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.41 ' CE1' HD22 ' A' ' 36' ' ' LEU . 3.3 m-85 -60.11 -44.4 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -63.58 -49.27 74.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 10' ' ' PHE . . . -66.92 -42.4 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.06 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -60.38 -42.67 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.71 -46.68 88.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -66.78 -39.25 87.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -60.01 -43.58 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -45.66 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -39.69 94.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.97 -40.24 94.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.2 t -76.67 -33.02 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 97.3 p -72.06 -31.73 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.06 121.24 26.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.1 107.73 3.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.558 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -107.87 24.72 12.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.6 mt 56.69 78.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.986 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.734 0.302 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.1 t -129.96 87.91 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.9 m -100.72 155.65 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.5 128.82 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.86 125.4 54.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -61.15 -30.62 70.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -58.48 -32.9 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.4 -32.05 58.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -63.61 -53.29 53.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.422 ' CD2' HD12 ' A' ' 13' ' ' ILE . 52.0 t80 -71.13 -36.15 72.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt-85 -60.32 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.782 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -61.39 -23.76 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.211 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.422 HD12 ' CD2' ' A' ' 10' ' ' PHE . 42.4 mt -58.34 147.26 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.967 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 p -113.33 -53.43 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -75.58 136.94 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.056 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -26.0 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -56.35 -37.02 69.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.98 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -58.34 -26.94 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.3 -58.58 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.982 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.96 -32.08 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -64.21 -49.73 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.05 -38.7 89.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.42 ' CD2' ' HG2' ' A' ' 39' ' ' MET . 1.8 t80 -60.33 -56.8 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -31.72 69.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -53.63 8.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.7 mt -67.33 -46.33 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.5 -29.54 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -85.88 -32.1 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.7 p -86.43 -72.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.6 mp -59.86 -54.5 45.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.3 m 60.56 27.99 17.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -117.47 171.37 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.61 -24.69 66.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.049 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -53.07 -51.69 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.251 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.2 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -54.16 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -61.85 -29.49 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -77.53 -51.13 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.42 ' HG2' ' CD2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.26 -46.47 88.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -49.62 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.35 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.45 -51.92 56.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -59.17 -38.63 80.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.32 -51.03 16.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -51.28 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -59.6 -43.72 93.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.25 93.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.68 -39.98 56.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tp -66.61 -46.59 75.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 p -67.47 -36.95 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 p -104.45 29.24 6.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.65 68.07 0.22 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.04 -102.37 0.76 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.1 35.13 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -96.59 -56.3 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.22 69.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -135.76 175.19 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -89.65 177.25 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.4 31.65 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.06 -26.91 69.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.77 -30.25 60.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mp -61.41 -33.88 74.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -42.72 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -69.9 -52.02 28.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -58.18 -24.77 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -54.33 -28.53 43.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.053 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.8 mt -65.16 126.33 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.027 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -108.47 15.27 24.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.4 m -135.81 137.12 41.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.956 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -31.04 70.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.09 -50.47 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.15 65.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.016 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.12 -52.67 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -63.72 -29.97 71.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.998 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -50.62 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.4 tt -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -63.26 -59.23 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -66.67 -29.88 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -58.65 -53.79 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.83 -28.83 61.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -70.09 -25.81 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.38 -27.27 20.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -79.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.976 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.92 -43.1 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.14 25.27 15.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -101.25 162.38 12.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.11 -24.6 65.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.24 -48.53 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.241 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -59.22 -31.56 69.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.986 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -54.1 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.422 HG23 HD11 ' A' ' 37' ' ' ILE . 15.8 tt -63.68 -30.41 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -54.11 28.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.65 -30.17 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.958 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -52.64 64.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.31 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.89 96.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -48.85 58.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.8 -51.28 70.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.06 -47.55 85.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.91 -51.63 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -60.74 -47.89 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.43 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.35 -30.53 67.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.06 -27.89 60.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 p -93.34 -45.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.477 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.35 29.2 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.246 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.28 177.58 0.13 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.683 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.8 -122.51 1.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 61.22 98.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 110.96 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mt -112.59 -36.4 5.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.8 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 mtt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.04 179.58 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.08 159.69 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -176.33 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.5 88.35 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -59.75 -26.65 65.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.4 pp -56.0 -31.25 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.073 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.9 tp -61.04 -41.53 96.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -36.04 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.431 ' CD1' ' CB ' ' A' ' 42' ' ' ALA . 5.6 t80 -65.4 -56.71 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -29.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -64.07 -24.97 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.4 mt -59.32 141.31 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.067 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 p -111.24 -30.33 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.53 137.11 32.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.53 -26.67 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.46 -33.53 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.12 -26.78 68.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -30.96 69.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -49.93 66.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.7 tt -69.25 -35.82 76.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.57 -57.81 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -31.31 71.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.43 -53.76 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.8 tp -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -69.88 -30.75 68.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -83.99 -36.73 22.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 p -74.39 -54.45 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 mp -84.12 -54.86 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 m 60.94 42.59 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.15 171.41 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.21 -29.32 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -58.43 -58.53 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -61.77 -30.57 70.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -43.48 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.3 tt -75.15 -30.14 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -72.66 -31.57 65.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -84.0 -40.31 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.17 -45.27 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -59.93 -49.36 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.431 ' CB ' ' CD1' ' A' ' 10' ' ' PHE . . . -72.08 -32.43 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.03 -53.93 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.079 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.5 -45.68 92.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -63.27 -47.53 81.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -42.12 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -68.03 -49.99 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.15 86.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -33.42 74.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.29 -47.63 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.89 -30.96 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.9 m -98.32 29.24 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.25 -130.56 5.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.74 49.54 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.0 101.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.95 101.73 12.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p -133.3 32.34 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -100.69 150.41 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.84 117.26 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -99.23 106.08 18.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -69.65 -31.78 70.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.51 -31.8 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -31.09 71.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.761 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -53.07 26.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.421 ' CD1' HD13 ' A' ' 22' ' ' LEU . 9.9 m-85 -64.26 -27.5 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -54.66 -42.77 71.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -53.21 -26.58 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -62.99 107.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -107.86 15.37 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.402 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 137.04 54.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -36.7 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.94 -41.14 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 m -59.02 -26.79 64.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.25 -61.21 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.44 -40.75 92.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' A' ' 10' ' ' PHE . 7.1 tt -66.77 -31.21 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.412 ' CZ ' ' HB3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.95 -47.24 86.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -77.65 -31.12 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -71.05 -53.76 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 tp -61.85 -32.27 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -78.73 -30.14 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -98.42 32.76 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.75 -74.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.74 -29.99 12.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m 62.96 45.3 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.36 164.59 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -67.05 -24.65 66.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -55.63 -47.86 75.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.304 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -58.26 -32.37 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.4 mt -68.31 -53.94 20.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.965 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.99 -29.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -75.95 -52.46 10.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -59.22 -50.93 72.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -34.32 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -73.99 -43.73 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -47.91 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.78 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.73 -47.31 86.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -66.57 -36.7 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -44.9 72.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -59.92 -58.73 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.0 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.14 -32.16 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.3 tp -74.9 -34.96 62.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.4 t -83.13 -22.05 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.418 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -96.36 29.2 2.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.98 138.6 7.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.54 88.67 0.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.572 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.88 169.14 17.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.32 -72.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpp? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.873 0.368 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -120.61 34.84 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -157.5 139.9 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -164.61 -171.85 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 62.6 118.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -71.22 -32.09 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -60.37 -32.26 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -31.27 71.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -53.26 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.41 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.0 t80 -73.77 -34.82 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -59.48 -38.63 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -27.82 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 31.1 mt -59.94 134.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.006 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -113.51 -35.39 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -77.7 136.97 38.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.55 -30.63 69.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -56.45 -38.26 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.134 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.0 -29.88 68.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.31 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -59.4 -40.85 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.7 tt -64.66 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.409 ' CD2' ' HG2' ' A' ' 39' ' ' MET . 12.1 t80 -61.41 -59.28 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -63.09 -53.77 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -75.59 -36.13 60.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -29.5 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.35 -38.67 11.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 81.4 p -78.6 -76.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.01 -42.88 99.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.2 t 44.96 30.89 0.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.348 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.48 160.07 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.52 -24.74 61.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -56.93 -37.23 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -30.75 67.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.023 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -40.44 82.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.2 tt -75.24 -27.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.294 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -82.01 -52.44 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.203 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.409 ' HG2' ' CD2' ' A' ' 23' ' ' TYR . 0.0 OUTLIER -57.14 -50.66 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.254 -179.611 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.5 -51.85 66.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -57.89 -49.33 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.41 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -68.68 -49.9 55.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.315 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.51 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.0 -38.8 80.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.021 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.14 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -46.08 85.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -59.26 -49.17 78.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.99 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.74 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -47.79 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.14 -40.08 94.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.6 t -69.44 -42.66 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 t -68.96 -31.92 71.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.35 162.44 31.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.39 70.81 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtp-105 -99.46 30.8 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.338 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.7 mt -112.59 83.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.777 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 mtt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.891 0.377 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -136.11 80.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 m -102.15 159.36 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.64 168.85 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -103.56 95.07 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -60.51 -29.59 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.9 pp -58.82 -31.2 68.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.96 -40.63 96.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -33.16 69.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.44 -47.43 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -58.7 -27.03 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -66.72 -27.67 67.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.2 mt -69.11 137.89 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -32.31 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -86.38 137.09 32.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.43 -26.81 65.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.33 -42.19 77.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.13 -26.71 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.0 tt -55.98 -51.88 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.81 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -65.98 -50.63 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.4 -30.64 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -68.06 -56.31 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.66 -41.68 91.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -59.82 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.007 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.6 mt -61.83 -33.28 73.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -75.6 -33.51 60.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -98.4 31.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.2 p -123.61 -65.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.0 mp -110.89 -32.21 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m 60.17 79.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.51 170.43 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.94 -30.35 70.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -37.44 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -42.98 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.411 HD21 ' CE2' ' A' ' 40' ' ' TYR . 4.2 tt -66.66 -45.6 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.266 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 18.6 tt -64.79 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.213 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -67.15 -45.81 75.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.17 -44.05 96.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.411 ' CE2' HD21 ' A' ' 36' ' ' LEU . 2.2 m-85 -63.27 -44.13 96.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.15 -49.43 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.28 -44.13 63.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.78 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -60.62 -47.28 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.51 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -42.26 93.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.94 91.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.96 -43.36 58.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 11.6 p -71.79 -31.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -63.8 -31.96 73.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.29 -169.06 39.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.03 68.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 84.88 6.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.725 0.298 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.16 -52.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.544 ' CG ' ' HB1' ' A' ' 42' ' ' ALA . 2.9 t80 -66.37 -37.91 86.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -59.1 -37.77 77.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.88 -27.03 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 18' ' ' SER . 38.5 mt -61.75 131.78 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.9 m -112.61 -33.74 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -84.46 137.04 33.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mt -68.52 -27.52 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -43.23 79.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.51 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -59.15 -26.03 64.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.01 -55.45 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.28 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -50.26 28.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 22' ' ' LEU . 9.8 tt -59.65 -31.92 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -70.38 -58.99 3.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.76 -31.27 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.424 ' O ' HG23 ' A' ' 29' ' ' THR . 1.3 t-80 -71.59 -53.87 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.27 -30.57 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.98 -25.05 61.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.06 -27.11 18.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 25' ' ' HIS . 6.7 p -63.14 -74.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.28 -33.35 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.8 m 62.13 28.75 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -98.97 169.95 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.08 -24.67 65.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.7 mp0 -51.36 -58.46 6.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.454 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.45 -30.7 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.49 -41.41 84.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 34' ' ' GLN . 18.9 tt -75.21 -28.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -78.01 -48.52 15.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -68.64 -45.18 72.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -47.04 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HB1' ' CG ' ' A' ' 10' ' ' PHE . . . -62.69 -44.73 95.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.01 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.96 -42.95 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -46.46 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -42.09 98.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -69.62 -42.31 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -72.78 -35.6 67.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -41.06 82.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.44 -45.2 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 47' ' ' ARG . 12.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 22' ' ' LEU . 1.1 t80 -61.28 -32.16 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -71.62 -32.63 68.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -72.49 -14.72 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 18' ' ' SER . 41.4 mt -56.99 143.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.352 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -104.64 -53.43 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.3 t -84.55 137.07 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.55 -25.32 64.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.38 -33.89 66.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.479 ' HB3' HG21 ' A' ' 13' ' ' ILE . 22.8 t -60.95 -24.17 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.64 -64.48 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -33.78 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.765 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 10' ' ' PHE . 2.3 tt -63.04 -32.12 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.791 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' CE ' ' A' ' 39' ' ' MET . 1.8 t80 -62.48 -49.47 75.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -77.72 -39.53 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -60.65 -53.91 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 26' ' ' LEU . 11.7 tp -58.83 -31.27 68.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -75.31 -30.96 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.15 34.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.13 -62.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 31' ' ' THR . 13.1 mt -101.46 -26.4 13.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 30' ' ' LEU . 14.9 t 45.54 38.06 3.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -108.87 157.54 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.62 -24.69 61.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 37' ' ' ILE . 7.0 pt20 -57.33 -45.26 84.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.135 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -30.73 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -45.16 73.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 34' ' ' GLN . 12.8 tt -75.22 -33.35 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -71.0 -51.85 23.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CD1' ' A' ' 23' ' ' TYR . 2.3 mtp -58.73 -47.3 85.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -52.08 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -59.74 -49.3 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.21 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.66 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.49 -51.41 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -46.47 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -63.87 -47.34 81.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -59.33 -45.13 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.61 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.05 -30.79 71.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.53 -43.02 73.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 47' ' ' ARG . 21.7 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 2.4 t80 -60.29 -31.08 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -57.84 -41.18 81.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -26.61 65.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 18' ' ' SER . 35.4 mm -61.36 102.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -93.87 -40.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m -88.24 144.51 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.27 -31.64 71.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -59.52 -33.14 71.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.776 ' HB3' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -71.85 -24.31 61.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -62.0 1.94 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -58.64 -30.88 67.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -40.07 84.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.41 -42.82 87.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -60.5 -43.89 96.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.75 -37.29 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -64.09 -52.64 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 26' ' ' LEU . 16.3 mt -60.28 -42.11 94.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -62.8 -27.31 69.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -97.24 34.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.31 -46.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.27 -39.64 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 t 43.35 69.64 0.38 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -161.45 169.24 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -59.8 -24.73 64.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -54.79 -51.05 66.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -54.16 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.9 tt -59.6 -36.91 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -73.9 -48.56 29.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.3 -40.78 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.43 -47.34 86.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -63.3 -49.23 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -67.4 -35.83 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.03 -47.47 51.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -46.92 88.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -60.59 -45.91 92.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -64.75 -51.57 61.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 51' ' ' VAL . 26.2 tpt180 -59.86 -44.16 94.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.55 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.45 -45.02 95.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.62 -35.71 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 47' ' ' ARG . 27.4 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.712 0.291 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.8 t80 -59.43 -56.73 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -30.87 68.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -27.49 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mt -62.95 137.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -31.6 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -87.97 137.08 32.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.53 -29.17 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.63 -44.09 80.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -59.99 -28.01 67.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.59 -57.95 10.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.65 -38.56 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -42.46 98.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 10' ' ' PHE . 8.6 tt -65.97 -36.25 82.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE1' ' ND2' ' A' ' 27' ' ' ASN . 52.0 t80 -60.3 -58.64 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.41 -31.1 70.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.802 ' O ' HG23 ' A' ' 29' ' ' THR . 38.7 m170 -61.75 -53.84 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.489 HD22 ' HE2' ' A' ' 39' ' ' MET . 3.0 mp -76.88 -31.55 56.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' CE1' ' A' ' 23' ' ' TYR . 2.3 m-80 -58.32 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -30.13 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 25' ' ' HIS . 20.4 p -84.24 -61.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 31' ' ' THR . 4.2 mp -59.81 -40.0 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 30' ' ' LEU . 15.1 t 45.11 30.72 0.64 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -134.19 154.99 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.817 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -53.39 -25.21 14.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -32.03 67.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.76 -33.19 75.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.408 HD23 ' CE1' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -69.56 -54.03 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 38' ' ' ASN . 6.4 tt -61.07 -39.95 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 37' ' ' ILE . 3.4 t-20 -62.57 -53.5 53.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.489 ' HE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.91 -40.21 91.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.408 ' CE1' HD23 ' A' ' 36' ' ' LEU . 3.3 m-85 -60.11 -44.4 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -63.58 -49.27 74.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.688 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -66.92 -42.4 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.06 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -60.38 -42.67 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.71 -46.68 88.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -66.78 -39.25 87.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.693 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -60.01 -43.58 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -45.66 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -39.69 94.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 50' ' ' LEU . 9.3 tt -61.97 -40.24 94.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 47' ' ' ARG . 26.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.417 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 52.0 t80 -71.13 -36.15 72.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt-85 -60.32 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.782 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -61.39 -23.76 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.211 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.34 147.26 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.967 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 p -113.33 -53.43 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -75.58 136.94 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.056 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -26.0 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -56.35 -37.02 69.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.98 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -58.34 -26.94 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD11 ' HB1' ' A' ' 43' ' ' ALA . 7.8 tt -58.3 -58.58 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.96 -32.08 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -64.21 -49.73 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 10' ' ' PHE . 4.4 tp -62.05 -38.7 89.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD2' ' HE2' ' A' ' 39' ' ' MET . 1.8 t80 -60.33 -56.8 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -31.72 69.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -53.63 8.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' CD2' HD13 ' A' ' 30' ' ' LEU . 13.7 mt -67.33 -46.33 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.5 -29.54 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -85.88 -32.1 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.7 p -86.43 -72.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 26' ' ' LEU . 2.6 mp -59.86 -54.5 45.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 31' ' ' THR . 18.3 m 60.56 27.99 17.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -117.47 171.37 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.61 -24.69 66.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.049 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.4 mt-30 -53.07 -51.69 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.251 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.2 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -54.16 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 34' ' ' GLN . 19.3 tt -61.85 -29.49 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -77.53 -51.13 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.26 -46.47 88.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -49.62 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.35 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -65.45 -51.92 56.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 19' ' ' LEU . . . -60.0 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -59.17 -38.63 80.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.32 -51.03 16.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -51.28 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.716 ' O ' HG12 ' A' ' 51' ' ' VAL . 4.5 tpt85 -59.6 -43.72 93.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.25 93.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.68 -39.98 56.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tp -66.61 -46.59 75.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 47' ' ' ARG . 12.5 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.578 ' O ' HD12 ' A' ' 13' ' ' ILE . 14.4 m-85 -69.9 -52.02 28.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -58.18 -24.77 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -54.33 -28.53 43.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.053 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 15' ' ' SER . 6.8 mt -65.16 126.33 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -108.47 15.27 24.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.6 ' H ' HG22 ' A' ' 13' ' ' ILE . 1.4 m -135.81 137.12 41.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -31.04 70.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.09 -50.47 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.15 65.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.016 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.12 -52.67 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -63.72 -29.97 71.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.998 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -50.62 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD21 ' CE ' ' A' ' 39' ' ' MET . 8.4 tt -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -63.26 -59.23 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -66.67 -29.88 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -58.65 -53.79 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.7 HD23 ' CB ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -73.83 -28.83 61.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -70.09 -25.81 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.38 -27.27 20.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -79.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.976 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.92 -43.1 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.14 25.27 15.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -101.25 162.38 12.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.11 -24.6 65.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.488 ' O ' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.24 -48.53 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.241 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.7 ' CB ' HD23 ' A' ' 26' ' ' LEU . 2.2 pt-20 -59.22 -31.56 69.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.986 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -54.1 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 34' ' ' GLN . 15.8 tt -63.68 -30.41 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -54.11 28.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.42 ' CE ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.65 -30.17 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.958 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -52.64 64.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.31 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.89 96.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -48.85 58.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.8 -51.28 70.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.06 -47.55 85.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.91 -51.63 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -60.74 -47.89 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.43 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.35 -30.53 67.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.06 -27.89 60.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.477 -179.663 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.768 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 5.6 t80 -65.4 -56.71 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -29.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -64.07 -24.97 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 18' ' ' SER . 20.4 mt -59.32 141.31 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 p -111.24 -30.33 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.53 137.11 32.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD11 HD22 ' A' ' 50' ' ' LEU . 5.4 mt -68.53 -26.67 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.46 -33.53 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.504 ' CB ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -64.12 -26.78 68.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.653 HD11 ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -56.99 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -30.96 69.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -49.93 66.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.41 HD22 ' HE2' ' A' ' 10' ' ' PHE . 8.7 tt -69.25 -35.82 76.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.57 -57.81 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -31.31 71.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.43 -53.76 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 26' ' ' LEU . 6.8 tp -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -69.88 -30.75 68.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -83.99 -36.73 22.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 p -74.39 -54.45 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 35' ' ' GLU . 4.8 mp -84.12 -54.86 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 31' ' ' THR . 37.6 m 60.94 42.59 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.15 171.41 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.21 -29.32 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 37' ' ' ILE . 2.3 mt-30 -58.43 -58.53 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HB3' HD22 ' A' ' 30' ' ' LEU . 2.7 pp20? -61.77 -30.57 70.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -43.48 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 34' ' ' GLN . 19.3 tt -75.15 -30.14 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -72.66 -31.57 65.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.413 ' SD ' ' HB2' ' A' ' 43' ' ' ALA . 3.0 tmm? -84.0 -40.31 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.17 -45.27 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -59.93 -49.36 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.768 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -72.08 -32.43 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -67.03 -53.93 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.079 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.5 -45.68 92.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -63.27 -47.53 81.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.414 HH21 HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.19 -42.12 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -68.03 -49.99 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.15 86.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -33.42 74.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.43 HD22 HD11 ' A' ' 16' ' ' LEU . 4.4 tp -63.29 -47.63 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.868 0.366 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -64.26 -27.5 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -54.66 -42.77 71.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -53.21 -26.58 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -62.99 107.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -107.86 15.37 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.402 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 137.04 54.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -36.7 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.94 -41.14 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 m -59.02 -26.79 64.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -57.25 -61.21 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.44 -40.75 92.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.77 -31.21 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.95 -47.24 86.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -77.65 -31.12 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -71.05 -53.76 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' A' ' 35' ' ' GLU . 4.0 tp -61.85 -32.27 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -78.73 -30.14 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -98.42 32.76 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.75 -74.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.74 -29.99 12.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m 62.96 45.3 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.36 164.59 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 36' ' ' LEU . 36.6 t70 -67.05 -24.65 66.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -55.63 -47.86 75.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.304 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB2' HD23 ' A' ' 26' ' ' LEU . 2.6 pt-20 -58.26 -32.37 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 33' ' ' ASP . 5.4 mt -68.31 -53.94 20.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.99 -29.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -75.95 -52.46 10.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -59.22 -50.93 72.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -34.32 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -73.99 -43.73 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -47.91 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.78 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.73 -47.31 86.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -66.57 -36.7 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -44.9 72.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 tpt180 -59.92 -58.73 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.0 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.14 -32.16 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.3 tp -74.9 -34.96 62.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 47' ' ' ARG . 21.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.418 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.0 t80 -73.77 -34.82 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -59.48 -38.63 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -27.82 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 18' ' ' SER . 31.1 mt -59.94 134.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -113.51 -35.39 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -77.7 136.97 38.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.55 -30.63 69.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -56.45 -38.26 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.134 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -60.0 -29.88 68.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.31 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -59.4 -40.85 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD21 HD12 ' A' ' 26' ' ' LEU . 9.7 tt -64.66 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.411 ' CD2' ' HG2' ' A' ' 39' ' ' MET . 12.1 t80 -61.41 -59.28 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' THR . 1.8 t-160 -63.09 -53.77 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.654 HD12 HD21 ' A' ' 22' ' ' LEU . 12.9 mt -75.59 -36.13 60.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -29.5 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.35 -38.67 11.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 25' ' ' HIS . 81.4 p -78.6 -76.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER -63.01 -42.88 99.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 30' ' ' LEU . 15.2 t 44.96 30.89 0.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.48 160.07 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.52 -24.74 61.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 37' ' ' ILE . 15.5 mm100 -56.93 -37.23 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -30.75 67.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.023 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -40.44 82.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 34' ' ' GLN . 17.2 tt -75.24 -27.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.294 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -82.01 -52.44 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.203 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.415 ' HE1' ' CD1' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -57.14 -50.66 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.254 -179.611 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.5 -51.85 66.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -57.89 -49.33 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -68.68 -49.9 55.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.315 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.51 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.0 -38.8 80.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.021 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.14 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -46.08 85.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 51' ' ' VAL . 12.5 tpt180 -59.26 -49.17 78.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.74 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -47.79 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.14 -40.08 94.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 47' ' ' ARG . 25.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.44 -47.43 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -58.7 -27.03 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -66.72 -27.67 67.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.745 HG21 ' HB3' ' A' ' 18' ' ' SER . 28.2 mt -69.11 137.89 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -32.31 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -86.38 137.09 32.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 16' ' ' LEU . 1.4 mp -68.43 -26.81 65.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.33 -42.19 77.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.745 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -59.13 -26.71 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' HG ' ' HE2' ' A' ' 39' ' ' MET . 9.0 tt -55.98 -51.88 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.81 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -65.98 -50.63 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.4 -30.64 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -68.06 -56.31 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.66 -41.68 91.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' O ' HG23 ' A' ' 29' ' ' THR . 1.7 t-80 -59.82 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.007 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 26' ' ' LEU . 12.6 mt -61.83 -33.28 73.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -75.6 -33.51 60.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -98.4 31.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 25' ' ' HIS . 1.2 p -123.61 -65.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 ' HB ' ' A' ' 29' ' ' THR . 6.0 mp -110.89 -32.21 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m 60.17 79.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.51 170.43 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.623 ' O ' HG22 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -66.94 -30.35 70.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -37.44 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -42.98 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.66 -45.6 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.266 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 33' ' ' ASP . 18.6 tt -64.79 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.213 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.8 m120 -67.15 -45.81 75.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.45 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.17 -44.05 96.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.27 -44.13 96.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.15 -49.43 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.28 -44.13 63.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.78 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -47.28 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.51 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.749 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -59.96 -42.26 93.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.94 91.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.96 -43.36 58.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 47' ' ' ARG . 11.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.823 0.344 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.0 p -113.03 33.1 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.54 138.34 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -128.69 50.37 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.678 ' OD1' HD12 ' A' ' 7' ' ' LEU . 1.5 t70 -81.76 129.25 34.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.523 ' CE2' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -63.55 -21.41 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.678 HD12 ' OD1' ' A' ' 5' ' ' ASP . 8.5 mt -55.03 -31.02 60.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.839 0.352 . . . . 0.0 110.987 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 8' ' ' LEU . 12.0 mt -63.28 -38.97 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -35.37 71.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.544 ' CG ' ' HB1' ' A' ' 42' ' ' ALA . 2.9 t80 -66.37 -37.91 86.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -59.1 -37.77 77.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.88 -27.03 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 18' ' ' SER . 38.5 mt -61.75 131.78 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.9 m -112.61 -33.74 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -84.46 137.04 33.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mt -68.52 -27.52 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -43.23 79.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.51 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -59.15 -26.03 64.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.01 -55.45 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.28 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -50.26 28.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 22' ' ' LEU . 9.8 tt -59.65 -31.92 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -70.38 -58.99 3.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.76 -31.27 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.424 ' O ' HG23 ' A' ' 29' ' ' THR . 1.3 t-80 -71.59 -53.87 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD21 ' CE2' ' A' ' 6' ' ' TYR . 4.4 mm? -71.27 -30.57 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.98 -25.05 61.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.06 -27.11 18.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 25' ' ' HIS . 6.7 p -63.14 -74.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.28 -33.35 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.8 m 62.13 28.75 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -98.97 169.95 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.08 -24.67 65.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.7 mp0 -51.36 -58.46 6.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.454 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.45 -30.7 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.49 -41.41 84.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 34' ' ' GLN . 18.9 tt -75.21 -28.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -78.01 -48.52 15.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -68.64 -45.18 72.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -47.04 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HB1' ' CG ' ' A' ' 10' ' ' PHE . . . -62.69 -44.73 95.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.01 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.96 -42.95 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -46.46 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -42.09 98.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -69.62 -42.31 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -72.78 -35.6 67.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -41.06 82.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.44 -45.2 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 47' ' ' ARG . 12.4 p -71.78 -34.03 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.47 29.2 5.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.27 -91.31 1.35 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.95 118.1 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -65.69 135.73 55.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.769 0.318 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -108.78 146.01 34.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtp . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -58.53 4.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.9 t -127.69 144.21 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.51 103.62 12.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.62 -174.75 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -59.75 -28.65 67.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.53 -30.71 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.04 -35.99 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -53.17 23.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 22' ' ' LEU . 1.1 t80 -61.28 -32.16 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -71.62 -32.63 68.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -72.49 -14.72 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 18' ' ' SER . 41.4 mt -56.99 143.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.352 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -104.64 -53.43 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.3 t -84.55 137.07 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.55 -25.32 64.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.38 -33.89 66.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.479 ' HB3' HG21 ' A' ' 13' ' ' ILE . 22.8 t -60.95 -24.17 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.64 -64.48 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -33.78 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.765 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 10' ' ' PHE . 2.3 tt -63.04 -32.12 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.791 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' CE ' ' A' ' 39' ' ' MET . 1.8 t80 -62.48 -49.47 75.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -77.72 -39.53 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -60.65 -53.91 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 26' ' ' LEU . 11.7 tp -58.83 -31.27 68.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -75.31 -30.96 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.15 34.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.13 -62.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 31' ' ' THR . 13.1 mt -101.46 -26.4 13.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 30' ' ' LEU . 14.9 t 45.54 38.06 3.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -108.87 157.54 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.62 -24.69 61.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 37' ' ' ILE . 7.0 pt20 -57.33 -45.26 84.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.135 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -30.73 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -45.16 73.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 34' ' ' GLN . 12.8 tt -75.22 -33.35 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -71.0 -51.85 23.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CD1' ' A' ' 23' ' ' TYR . 2.3 mtp -58.73 -47.3 85.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -52.08 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -59.74 -49.3 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.21 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.66 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.49 -51.41 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -46.47 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -63.87 -47.34 81.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -59.33 -45.13 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.61 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.05 -30.79 71.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.53 -43.02 73.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 47' ' ' ARG . 21.7 t -76.86 -54.28 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -66.29 -32.06 73.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.35 -97.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.551 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.44 143.08 9.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 60.62 107.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.98 -63.06 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.929 0.395 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 t -80.2 148.18 30.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.03 136.95 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 120.73 29.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -162.17 84.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -68.89 -30.64 69.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -59.57 -31.03 69.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -41.98 89.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.812 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -64.97 -48.48 73.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 2.4 t80 -60.29 -31.08 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -57.84 -41.18 81.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -26.61 65.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 18' ' ' SER . 35.4 mm -61.36 102.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -93.87 -40.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m -88.24 144.51 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.27 -31.64 71.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -59.52 -33.14 71.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.776 ' HB3' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -71.85 -24.31 61.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -62.0 1.94 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -58.64 -30.88 67.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -40.07 84.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.41 -42.82 87.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -60.5 -43.89 96.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.75 -37.29 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -64.09 -52.64 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 26' ' ' LEU . 16.3 mt -60.28 -42.11 94.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -62.8 -27.31 69.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -97.24 34.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.31 -46.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.27 -39.64 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 t 43.35 69.64 0.38 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -161.45 169.24 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -59.8 -24.73 64.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -54.79 -51.05 66.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -54.16 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.9 tt -59.6 -36.91 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -73.9 -48.56 29.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.3 -40.78 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.43 -47.34 86.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -63.3 -49.23 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -67.4 -35.83 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.03 -47.47 51.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -46.92 88.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -60.59 -45.91 92.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -64.75 -51.57 61.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 51' ' ' VAL . 26.2 tpt180 -59.86 -44.16 94.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.55 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.45 -45.02 95.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.62 -35.71 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 47' ' ' ARG . 27.4 t -80.1 -32.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -31.89 71.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.27 -144.38 15.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.13 61.65 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.98 31.61 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.7 pt? -144.63 162.3 37.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.0 p90 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.779 0.323 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m -80.44 -60.91 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.9 m -90.93 164.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -95.91 -178.39 4.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.37 99.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -26.55 66.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.25 -35.92 65.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -40.95 96.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -33.54 69.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.8 t80 -59.43 -56.73 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -30.87 68.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -27.49 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mt -62.95 137.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -31.6 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -87.97 137.08 32.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.53 -29.17 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.63 -44.09 80.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -59.99 -28.01 67.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.59 -57.95 10.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.65 -38.56 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -42.46 98.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 10' ' ' PHE . 8.6 tt -65.97 -36.25 82.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.44 ' CE1' ' ND2' ' A' ' 27' ' ' ASN . 52.0 t80 -60.3 -58.64 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.41 -31.1 70.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.802 ' O ' HG23 ' A' ' 29' ' ' THR . 38.7 m170 -61.75 -53.84 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.489 HD22 ' HE2' ' A' ' 39' ' ' MET . 3.0 mp -76.88 -31.55 56.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.44 ' ND2' ' CE1' ' A' ' 23' ' ' TYR . 2.3 m-80 -58.32 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -30.13 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 25' ' ' HIS . 20.4 p -84.24 -61.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 31' ' ' THR . 4.2 mp -59.81 -40.0 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 30' ' ' LEU . 15.1 t 45.11 30.72 0.64 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -134.19 154.99 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.817 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -53.39 -25.21 14.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -32.03 67.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.76 -33.19 75.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.408 HD23 ' CE1' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -69.56 -54.03 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 38' ' ' ASN . 6.4 tt -61.07 -39.95 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 37' ' ' ILE . 3.4 t-20 -62.57 -53.5 53.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.489 ' HE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.91 -40.21 91.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.408 ' CE1' HD23 ' A' ' 36' ' ' LEU . 3.3 m-85 -60.11 -44.4 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -63.58 -49.27 74.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.688 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -66.92 -42.4 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.06 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -60.38 -42.67 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.71 -46.68 88.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -66.78 -39.25 87.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.693 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -60.01 -43.58 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -45.66 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -39.69 94.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 50' ' ' LEU . 9.3 tt -61.97 -40.24 94.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 47' ' ' ARG . 26.2 t -76.67 -33.02 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 97.3 p -72.06 -31.73 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.06 121.24 26.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.1 107.73 3.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.558 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -107.87 24.72 12.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.6 mt 56.69 78.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.986 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.734 0.302 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 2' ' ' THR . 8.1 t -129.96 87.91 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.9 m -100.72 155.65 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.5 128.82 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.86 125.4 54.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.705 ' OH ' HD11 ' A' ' 26' ' ' LEU . 2.5 t80 -61.15 -30.62 70.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.0 mp -58.48 -32.9 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.4 -32.05 58.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -63.61 -53.29 53.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 52.0 t80 -71.13 -36.15 72.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt-85 -60.32 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.782 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -61.39 -23.76 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.211 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.34 147.26 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.967 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 p -113.33 -53.43 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -75.58 136.94 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.056 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -26.0 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -56.35 -37.02 69.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.98 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -58.34 -26.94 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD11 ' HB1' ' A' ' 43' ' ' ALA . 7.8 tt -58.3 -58.58 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.96 -32.08 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -64.21 -49.73 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 10' ' ' PHE . 4.4 tp -62.05 -38.7 89.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD2' ' HE2' ' A' ' 39' ' ' MET . 1.8 t80 -60.33 -56.8 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -31.72 69.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -53.63 8.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.705 HD11 ' OH ' ' A' ' 6' ' ' TYR . 13.7 mt -67.33 -46.33 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.5 -29.54 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -85.88 -32.1 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.7 p -86.43 -72.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 26' ' ' LEU . 2.6 mp -59.86 -54.5 45.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 31' ' ' THR . 18.3 m 60.56 27.99 17.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -117.47 171.37 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.61 -24.69 66.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.049 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.4 mt-30 -53.07 -51.69 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.251 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.2 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -54.16 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 34' ' ' GLN . 19.3 tt -61.85 -29.49 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -77.53 -51.13 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.26 -46.47 88.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -49.62 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.35 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -65.45 -51.92 56.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 19' ' ' LEU . . . -60.0 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -59.17 -38.63 80.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.32 -51.03 16.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -51.28 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.716 ' O ' HG12 ' A' ' 51' ' ' VAL . 4.5 tpt85 -59.6 -43.72 93.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.25 93.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.68 -39.98 56.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tp -66.61 -46.59 75.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 47' ' ' ARG . 12.5 p -67.47 -36.95 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 p -104.45 29.24 6.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.65 68.07 0.22 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.04 -102.37 0.76 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.1 35.13 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -96.59 -56.3 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.22 69.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -135.76 175.19 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -89.65 177.25 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.4 31.65 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.06 -26.91 69.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -55.77 -30.25 60.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.974 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.477 HD12 ' HG ' ' A' ' 7' ' ' LEU . 7.2 mp -61.41 -33.88 74.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -42.72 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.578 ' O ' HD12 ' A' ' 13' ' ' ILE . 14.4 m-85 -69.9 -52.02 28.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -58.18 -24.77 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -54.33 -28.53 43.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.053 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 15' ' ' SER . 6.8 mt -65.16 126.33 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -108.47 15.27 24.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.6 ' H ' HG22 ' A' ' 13' ' ' ILE . 1.4 m -135.81 137.12 41.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -31.04 70.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.09 -50.47 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.15 65.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.016 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.12 -52.67 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -63.72 -29.97 71.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.998 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -50.62 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD21 ' CE ' ' A' ' 39' ' ' MET . 8.4 tt -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -63.26 -59.23 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -66.67 -29.88 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -58.65 -53.79 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.7 HD23 ' CB ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -73.83 -28.83 61.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -70.09 -25.81 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.38 -27.27 20.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -79.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.976 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.92 -43.1 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.14 25.27 15.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -101.25 162.38 12.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.11 -24.6 65.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.488 ' O ' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.24 -48.53 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.241 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.7 ' CB ' HD23 ' A' ' 26' ' ' LEU . 2.2 pt-20 -59.22 -31.56 69.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.986 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -54.1 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 34' ' ' GLN . 15.8 tt -63.68 -30.41 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -54.11 28.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.42 ' CE ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.65 -30.17 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.958 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -52.64 64.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.31 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.89 96.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -48.85 58.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.8 -51.28 70.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.06 -47.55 85.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.91 -51.63 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -60.74 -47.89 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.43 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.35 -30.53 67.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.06 -27.89 60.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 52' ' ' SER . 14.1 p -93.34 -45.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.477 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.488 ' N ' HG13 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -108.35 29.2 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.246 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.28 177.58 0.13 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.683 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.8 -122.51 1.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 61.22 98.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 110.96 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mt -112.59 -36.4 5.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.8 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 mtt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.04 179.58 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.08 159.69 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -176.33 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.5 88.35 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -59.75 -26.65 65.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 8' ' ' LEU . 3.4 pp -56.0 -31.25 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.073 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 7' ' ' LEU . 2.9 tp -61.04 -41.53 96.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -36.04 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.768 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 5.6 t80 -65.4 -56.71 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -29.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -64.07 -24.97 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 18' ' ' SER . 20.4 mt -59.32 141.31 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 p -111.24 -30.33 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.53 137.11 32.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD11 HD22 ' A' ' 50' ' ' LEU . 5.4 mt -68.53 -26.67 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.46 -33.53 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.504 ' CB ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -64.12 -26.78 68.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.653 HD11 ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -56.99 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -30.96 69.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -49.93 66.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.41 HD22 ' HE2' ' A' ' 10' ' ' PHE . 8.7 tt -69.25 -35.82 76.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.57 -57.81 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -31.31 71.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.43 -53.76 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 26' ' ' LEU . 6.8 tp -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -69.88 -30.75 68.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -83.99 -36.73 22.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 p -74.39 -54.45 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 35' ' ' GLU . 4.8 mp -84.12 -54.86 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 31' ' ' THR . 37.6 m 60.94 42.59 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.15 171.41 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.21 -29.32 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 37' ' ' ILE . 2.3 mt-30 -58.43 -58.53 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HB3' HD22 ' A' ' 30' ' ' LEU . 2.7 pp20? -61.77 -30.57 70.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -43.48 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 34' ' ' GLN . 19.3 tt -75.15 -30.14 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -72.66 -31.57 65.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.413 ' SD ' ' HB2' ' A' ' 43' ' ' ALA . 3.0 tmm? -84.0 -40.31 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.17 -45.27 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -59.93 -49.36 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.768 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -72.08 -32.43 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -67.03 -53.93 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.079 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.5 -45.68 92.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -63.27 -47.53 81.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.414 HH21 HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.19 -42.12 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -68.03 -49.99 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.15 86.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -33.42 74.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.43 HD22 HD11 ' A' ' 16' ' ' LEU . 4.4 tp -63.29 -47.63 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.89 -30.96 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.9 m -98.32 29.24 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.25 -130.56 5.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.74 49.54 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.0 101.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.95 101.73 12.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p -133.3 32.34 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -100.69 150.41 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.84 117.26 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -99.23 106.08 18.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -69.65 -31.78 70.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.513 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.4 mp -60.51 -31.8 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -31.09 71.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.761 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -53.07 26.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -64.26 -27.5 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -54.66 -42.77 71.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -53.21 -26.58 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -62.99 107.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -107.86 15.37 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.402 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 137.04 54.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -36.7 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.94 -41.14 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 m -59.02 -26.79 64.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -57.25 -61.21 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.44 -40.75 92.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.77 -31.21 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.95 -47.24 86.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -77.65 -31.12 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -71.05 -53.76 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' A' ' 35' ' ' GLU . 4.0 tp -61.85 -32.27 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -78.73 -30.14 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -98.42 32.76 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.75 -74.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.74 -29.99 12.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m 62.96 45.3 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.36 164.59 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 36' ' ' LEU . 36.6 t70 -67.05 -24.65 66.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -55.63 -47.86 75.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.304 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB2' HD23 ' A' ' 26' ' ' LEU . 2.6 pt-20 -58.26 -32.37 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 33' ' ' ASP . 5.4 mt -68.31 -53.94 20.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.99 -29.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -75.95 -52.46 10.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -59.22 -50.93 72.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -34.32 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -73.99 -43.73 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -47.91 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.78 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.73 -47.31 86.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -66.57 -36.7 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -44.9 72.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 tpt180 -59.92 -58.73 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.0 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.14 -32.16 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.3 tp -74.9 -34.96 62.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 47' ' ' ARG . 21.4 t -83.13 -22.05 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.418 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -96.36 29.2 2.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.98 138.6 7.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.54 88.67 0.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.572 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.88 169.14 17.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.32 -72.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpp? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.873 0.368 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.443 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.5 t -120.61 34.84 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 2' ' ' THR . 16.0 m -157.5 139.9 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -164.61 -171.85 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 62.6 118.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -71.22 -32.09 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -60.37 -32.26 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -31.27 71.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -53.26 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.0 t80 -73.77 -34.82 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -59.48 -38.63 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -27.82 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 18' ' ' SER . 31.1 mt -59.94 134.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -113.51 -35.39 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -77.7 136.97 38.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.55 -30.63 69.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -56.45 -38.26 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.134 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -60.0 -29.88 68.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.31 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -59.4 -40.85 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD21 HD12 ' A' ' 26' ' ' LEU . 9.7 tt -64.66 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.411 ' CD2' ' HG2' ' A' ' 39' ' ' MET . 12.1 t80 -61.41 -59.28 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' THR . 1.8 t-160 -63.09 -53.77 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.654 HD12 HD21 ' A' ' 22' ' ' LEU . 12.9 mt -75.59 -36.13 60.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -29.5 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.35 -38.67 11.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 25' ' ' HIS . 81.4 p -78.6 -76.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER -63.01 -42.88 99.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 30' ' ' LEU . 15.2 t 44.96 30.89 0.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.48 160.07 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.52 -24.74 61.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 37' ' ' ILE . 15.5 mm100 -56.93 -37.23 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -30.75 67.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.023 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -40.44 82.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 34' ' ' GLN . 17.2 tt -75.24 -27.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.294 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -82.01 -52.44 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.203 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.415 ' HE1' ' CD1' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -57.14 -50.66 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.254 -179.611 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.5 -51.85 66.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -57.89 -49.33 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -68.68 -49.9 55.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.315 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.51 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.0 -38.8 80.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.021 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.14 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -46.08 85.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 51' ' ' VAL . 12.5 tpt180 -59.26 -49.17 78.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.74 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -47.79 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.14 -40.08 94.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 47' ' ' ARG . 25.6 t -69.44 -42.66 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 t -68.96 -31.92 71.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.35 162.44 31.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.39 70.81 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtp-105 -99.46 30.8 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.338 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.7 mt -112.59 83.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.777 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 mtt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.891 0.377 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -136.11 80.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 m -102.15 159.36 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.64 168.85 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -103.56 95.07 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -60.51 -29.59 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 8' ' ' LEU . 3.9 pp -58.82 -31.2 68.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' LEU . 1.1 tp -61.96 -40.63 96.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -33.16 69.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.44 -47.43 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -58.7 -27.03 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -66.72 -27.67 67.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.745 HG21 ' HB3' ' A' ' 18' ' ' SER . 28.2 mt -69.11 137.89 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -32.31 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -86.38 137.09 32.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 16' ' ' LEU . 1.4 mp -68.43 -26.81 65.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.33 -42.19 77.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.745 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -59.13 -26.71 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' HG ' ' HE2' ' A' ' 39' ' ' MET . 9.0 tt -55.98 -51.88 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.81 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -65.98 -50.63 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.4 -30.64 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -68.06 -56.31 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.66 -41.68 91.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' O ' HG23 ' A' ' 29' ' ' THR . 1.7 t-80 -59.82 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.007 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 26' ' ' LEU . 12.6 mt -61.83 -33.28 73.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -75.6 -33.51 60.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -98.4 31.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 25' ' ' HIS . 1.2 p -123.61 -65.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 ' HB ' ' A' ' 29' ' ' THR . 6.0 mp -110.89 -32.21 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m 60.17 79.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.51 170.43 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.623 ' O ' HG22 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -66.94 -30.35 70.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -37.44 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -42.98 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.66 -45.6 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.266 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 33' ' ' ASP . 18.6 tt -64.79 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.213 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.8 m120 -67.15 -45.81 75.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.45 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.17 -44.05 96.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.27 -44.13 96.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.15 -49.43 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.28 -44.13 63.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.78 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -47.28 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.51 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.749 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -59.96 -42.26 93.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.94 91.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.96 -43.36 58.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 47' ' ' ARG . 11.6 p -71.79 -31.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -63.8 -31.96 73.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.29 -169.06 39.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.03 68.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 84.88 6.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.725 0.298 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.16 -52.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.798 0.332 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.544 ' CG ' ' HB1' ' A' ' 42' ' ' ALA . 2.9 t80 -66.37 -37.91 86.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -59.1 -37.77 77.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.88 -27.03 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 18' ' ' SER . 38.5 mt -61.75 131.78 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.9 m -112.61 -33.74 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -84.46 137.04 33.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mt -68.52 -27.52 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -43.23 79.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.51 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -59.15 -26.03 64.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.01 -55.45 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.28 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -50.26 28.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 22' ' ' LEU . 9.8 tt -59.65 -31.92 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -70.38 -58.99 3.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.76 -31.27 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.424 ' O ' HG23 ' A' ' 29' ' ' THR . 1.3 t-80 -71.59 -53.87 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -71.27 -30.57 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.98 -25.05 61.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.06 -27.11 18.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 25' ' ' HIS . 6.7 p -63.14 -74.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.28 -33.35 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.8 m 62.13 28.75 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -98.97 169.95 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.08 -24.67 65.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.7 mp0 -51.36 -58.46 6.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.454 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.45 -30.7 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.49 -41.41 84.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 34' ' ' GLN . 18.9 tt -75.21 -28.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -78.01 -48.52 15.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -68.64 -45.18 72.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -47.04 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HB1' ' CG ' ' A' ' 10' ' ' PHE . . . -62.69 -44.73 95.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.01 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.96 -42.95 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -46.46 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -42.09 98.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -69.62 -42.31 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -72.78 -35.6 67.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -41.06 82.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.44 -45.2 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 47' ' ' ARG . 12.4 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.84 0.352 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 22' ' ' LEU . 1.1 t80 -61.28 -32.16 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -71.62 -32.63 68.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -72.49 -14.72 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 18' ' ' SER . 41.4 mt -56.99 143.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.352 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -104.64 -53.43 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.3 t -84.55 137.07 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.55 -25.32 64.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.38 -33.89 66.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.479 ' HB3' HG21 ' A' ' 13' ' ' ILE . 22.8 t -60.95 -24.17 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.64 -64.48 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -33.78 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.765 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 10' ' ' PHE . 2.3 tt -63.04 -32.12 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.791 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' CE ' ' A' ' 39' ' ' MET . 1.8 t80 -62.48 -49.47 75.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -77.72 -39.53 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -60.65 -53.91 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 26' ' ' LEU . 11.7 tp -58.83 -31.27 68.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -75.31 -30.96 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.15 34.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.13 -62.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 31' ' ' THR . 13.1 mt -101.46 -26.4 13.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 30' ' ' LEU . 14.9 t 45.54 38.06 3.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -108.87 157.54 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.62 -24.69 61.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 37' ' ' ILE . 7.0 pt20 -57.33 -45.26 84.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.135 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -30.73 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -45.16 73.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 34' ' ' GLN . 12.8 tt -75.22 -33.35 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -71.0 -51.85 23.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CD1' ' A' ' 23' ' ' TYR . 2.3 mtp -58.73 -47.3 85.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -52.08 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -59.74 -49.3 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.21 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.66 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.49 -51.41 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -46.47 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -63.87 -47.34 81.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -59.33 -45.13 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.61 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.05 -30.79 71.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.53 -43.02 73.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 47' ' ' ARG . 21.7 t . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.901 0.381 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 2.4 t80 -60.29 -31.08 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -57.84 -41.18 81.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -26.61 65.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 18' ' ' SER . 35.4 mm -61.36 102.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -93.87 -40.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m -88.24 144.51 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.27 -31.64 71.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -59.52 -33.14 71.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.776 ' HB3' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -71.85 -24.31 61.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -62.0 1.94 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -58.64 -30.88 67.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -40.07 84.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.41 -42.82 87.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -60.5 -43.89 96.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.75 -37.29 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -64.09 -52.64 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 26' ' ' LEU . 16.3 mt -60.28 -42.11 94.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -62.8 -27.31 69.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -97.24 34.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.31 -46.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.27 -39.64 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 t 43.35 69.64 0.38 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -161.45 169.24 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -59.8 -24.73 64.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -54.79 -51.05 66.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -54.16 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.9 tt -59.6 -36.91 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -73.9 -48.56 29.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.3 -40.78 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.43 -47.34 86.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -63.3 -49.23 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -67.4 -35.83 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.03 -47.47 51.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -46.92 88.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -60.59 -45.91 92.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -64.75 -51.57 61.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 51' ' ' VAL . 26.2 tpt180 -59.86 -44.16 94.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.55 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.45 -45.02 95.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.62 -35.71 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 47' ' ' ARG . 27.4 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.712 0.291 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.8 t80 -59.43 -56.73 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -30.87 68.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -27.49 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mt -62.95 137.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -31.6 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -87.97 137.08 32.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.53 -29.17 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.63 -44.09 80.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -59.99 -28.01 67.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.59 -57.95 10.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.65 -38.56 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -42.46 98.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 10' ' ' PHE . 8.6 tt -65.97 -36.25 82.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -60.3 -58.64 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.41 -31.1 70.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.802 ' O ' HG23 ' A' ' 29' ' ' THR . 38.7 m170 -61.75 -53.84 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.489 HD22 ' HE2' ' A' ' 39' ' ' MET . 3.0 mp -76.88 -31.55 56.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.32 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -30.13 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 25' ' ' HIS . 20.4 p -84.24 -61.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 31' ' ' THR . 4.2 mp -59.81 -40.0 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 30' ' ' LEU . 15.1 t 45.11 30.72 0.64 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -134.19 154.99 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.817 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -53.39 -25.21 14.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -32.03 67.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.76 -33.19 75.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.408 HD23 ' CE1' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -69.56 -54.03 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 38' ' ' ASN . 6.4 tt -61.07 -39.95 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 37' ' ' ILE . 14.7 t30 -62.57 -53.5 53.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.489 ' HE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.91 -40.21 91.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.408 ' CE1' HD23 ' A' ' 36' ' ' LEU . 3.3 m-85 -60.11 -44.4 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -63.58 -49.27 74.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.688 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -66.92 -42.4 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.06 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -60.38 -42.67 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.71 -46.68 88.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -66.78 -39.25 87.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.693 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -60.01 -43.58 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -45.66 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -39.69 94.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 50' ' ' LEU . 9.3 tt -61.97 -40.24 94.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 47' ' ' ARG . 26.2 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.417 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 52.0 t80 -71.13 -36.15 72.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt-85 -60.32 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.782 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -61.39 -23.76 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.211 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.34 147.26 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.967 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 p -113.33 -53.43 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -75.58 136.94 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.056 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -26.0 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -56.35 -37.02 69.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.98 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -58.34 -26.94 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.447 HD11 ' HB1' ' A' ' 43' ' ' ALA . 7.8 tt -58.3 -58.58 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.96 -32.08 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -64.21 -49.73 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 10' ' ' PHE . 4.4 tp -62.05 -38.7 89.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD2' ' HE2' ' A' ' 39' ' ' MET . 1.8 t80 -60.33 -56.8 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -31.72 69.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -53.63 8.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.558 ' CD2' HD13 ' A' ' 30' ' ' LEU . 13.7 mt -67.33 -46.33 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.5 -29.54 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -85.88 -32.1 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.7 p -86.43 -72.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 26' ' ' LEU . 2.6 mp -59.86 -54.5 45.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 31' ' ' THR . 18.3 m 60.56 27.99 17.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -117.47 171.37 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.61 -24.69 66.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.049 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.4 mt-30 -53.07 -51.69 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.251 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.2 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -54.16 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 34' ' ' GLN . 19.3 tt -61.85 -29.49 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -77.53 -51.13 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.431 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.26 -46.47 88.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -49.62 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.35 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -65.45 -51.92 56.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 19' ' ' LEU . . . -60.0 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -59.17 -38.63 80.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.32 -51.03 16.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -51.28 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.716 ' O ' HG12 ' A' ' 51' ' ' VAL . 4.5 tpt85 -59.6 -43.72 93.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.25 93.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.68 -39.98 56.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tp -66.61 -46.59 75.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 47' ' ' ARG . 12.5 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.786 0.327 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.578 ' O ' HD12 ' A' ' 13' ' ' ILE . 14.4 m-85 -69.9 -52.02 28.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -58.18 -24.77 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -54.33 -28.53 43.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.053 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 15' ' ' SER . 6.8 mt -65.16 126.33 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -108.47 15.27 24.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.6 ' H ' HG22 ' A' ' 13' ' ' ILE . 1.4 m -135.81 137.12 41.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -31.04 70.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.09 -50.47 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.15 65.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.016 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.12 -52.67 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -63.72 -29.97 71.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.998 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -50.62 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.42 HD21 ' CE ' ' A' ' 39' ' ' MET . 8.4 tt -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -63.26 -59.23 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -66.67 -29.88 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -58.65 -53.79 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.7 HD23 ' CB ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -73.83 -28.83 61.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -70.09 -25.81 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.38 -27.27 20.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -79.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.976 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.92 -43.1 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.14 25.27 15.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -101.25 162.38 12.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.11 -24.6 65.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.488 ' O ' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.24 -48.53 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.241 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.7 ' CB ' HD23 ' A' ' 26' ' ' LEU . 2.2 pt-20 -59.22 -31.56 69.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.986 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -54.1 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 34' ' ' GLN . 15.8 tt -63.68 -30.41 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -54.11 28.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.42 ' CE ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.65 -30.17 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.958 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -52.64 64.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.31 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.89 96.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -48.85 58.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.8 -51.28 70.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.06 -47.55 85.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.91 -51.63 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -60.74 -47.89 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.43 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.35 -30.53 67.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.06 -27.89 60.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.477 -179.663 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.787 0.327 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.768 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 5.6 t80 -65.4 -56.71 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -29.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -64.07 -24.97 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 18' ' ' SER . 20.4 mt -59.32 141.31 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 p -111.24 -30.33 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.53 137.11 32.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.43 HD11 HD22 ' A' ' 50' ' ' LEU . 5.4 mt -68.53 -26.67 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.46 -33.53 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.504 ' CB ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -64.12 -26.78 68.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.653 HD11 ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -56.99 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -30.96 69.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -49.93 66.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.41 HD22 ' HE2' ' A' ' 10' ' ' PHE . 8.7 tt -69.25 -35.82 76.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.57 -57.81 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -31.31 71.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.43 -53.76 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 26' ' ' LEU . 6.8 tp -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -69.88 -30.75 68.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -83.99 -36.73 22.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 p -74.39 -54.45 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 35' ' ' GLU . 4.8 mp -84.12 -54.86 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 31' ' ' THR . 37.6 m 60.94 42.59 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.15 171.41 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.21 -29.32 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 37' ' ' ILE . 2.3 mt-30 -58.43 -58.53 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HB3' HD22 ' A' ' 30' ' ' LEU . 2.7 pp20? -61.77 -30.57 70.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -43.48 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 34' ' ' GLN . 19.3 tt -75.15 -30.14 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -72.66 -31.57 65.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.413 ' SD ' ' HB2' ' A' ' 43' ' ' ALA . 3.0 tmm? -84.0 -40.31 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.17 -45.27 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -59.93 -49.36 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.768 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -72.08 -32.43 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -67.03 -53.93 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.079 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.5 -45.68 92.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -63.27 -47.53 81.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.414 HH21 HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.19 -42.12 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -68.03 -49.99 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.15 86.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -33.42 74.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.43 HD22 HD11 ' A' ' 16' ' ' LEU . 4.4 tp -63.29 -47.63 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.868 0.366 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -64.26 -27.5 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -54.66 -42.77 71.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -53.21 -26.58 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -62.99 107.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -107.86 15.37 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.402 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 137.04 54.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -36.7 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.94 -41.14 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 m -59.02 -26.79 64.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -57.25 -61.21 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.44 -40.75 92.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.77 -31.21 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.95 -47.24 86.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -77.65 -31.12 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -71.05 -53.76 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' A' ' 35' ' ' GLU . 4.0 tp -61.85 -32.27 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -78.73 -30.14 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -98.42 32.76 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.75 -74.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.74 -29.99 12.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m 62.96 45.3 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.36 164.59 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 36' ' ' LEU . 36.6 t70 -67.05 -24.65 66.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -55.63 -47.86 75.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.304 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB2' HD23 ' A' ' 26' ' ' LEU . 2.6 pt-20 -58.26 -32.37 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 33' ' ' ASP . 5.4 mt -68.31 -53.94 20.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.99 -29.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -75.95 -52.46 10.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -59.22 -50.93 72.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -34.32 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -73.99 -43.73 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -47.91 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.78 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.73 -47.31 86.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -66.57 -36.7 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -44.9 72.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 tpt180 -59.92 -58.73 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.0 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.14 -32.16 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.3 tp -74.9 -34.96 62.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 47' ' ' ARG . 21.4 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.418 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.803 0.335 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.0 t80 -73.77 -34.82 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -59.48 -38.63 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -27.82 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 18' ' ' SER . 31.1 mt -59.94 134.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -113.51 -35.39 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -77.7 136.97 38.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.55 -30.63 69.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -56.45 -38.26 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.134 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -60.0 -29.88 68.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.31 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -59.4 -40.85 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD21 HD12 ' A' ' 26' ' ' LEU . 9.7 tt -64.66 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.411 ' CD2' ' HG2' ' A' ' 39' ' ' MET . 12.1 t80 -61.41 -59.28 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' THR . 1.8 t-160 -63.09 -53.77 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.654 HD12 HD21 ' A' ' 22' ' ' LEU . 12.9 mt -75.59 -36.13 60.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -29.5 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.35 -38.67 11.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 25' ' ' HIS . 81.4 p -78.6 -76.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER -63.01 -42.88 99.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 30' ' ' LEU . 15.2 t 44.96 30.89 0.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.48 160.07 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.52 -24.74 61.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 37' ' ' ILE . 20.5 mm-40 -56.93 -37.23 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -30.75 67.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.023 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -40.44 82.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 34' ' ' GLN . 17.2 tt -75.24 -27.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.294 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -82.01 -52.44 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.203 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.415 ' HE1' ' CD1' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -57.14 -50.66 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.254 -179.611 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.5 -51.85 66.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -57.89 -49.33 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -68.68 -49.9 55.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.315 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.51 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.0 -38.8 80.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.021 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.14 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -46.08 85.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 51' ' ' VAL . 12.5 tpt180 -59.26 -49.17 78.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.74 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -47.79 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.14 -40.08 94.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 47' ' ' ARG . 25.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.44 -47.43 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -58.7 -27.03 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -66.72 -27.67 67.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.745 HG21 ' HB3' ' A' ' 18' ' ' SER . 28.2 mt -69.11 137.89 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -32.31 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -86.38 137.09 32.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 16' ' ' LEU . 1.4 mp -68.43 -26.81 65.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.33 -42.19 77.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.745 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -59.13 -26.71 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.45 ' HG ' ' HE2' ' A' ' 39' ' ' MET . 9.0 tt -55.98 -51.88 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.81 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -65.98 -50.63 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.4 -30.64 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -68.06 -56.31 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.66 -41.68 91.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.537 ' O ' HG23 ' A' ' 29' ' ' THR . 1.7 t-80 -59.82 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.007 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 26' ' ' LEU . 12.6 mt -61.83 -33.28 73.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -75.6 -33.51 60.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -98.4 31.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 25' ' ' HIS . 1.2 p -123.61 -65.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 ' HB ' ' A' ' 29' ' ' THR . 6.0 mp -110.89 -32.21 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m 60.17 79.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.51 170.43 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.623 ' O ' HG22 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -66.94 -30.35 70.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -37.44 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -42.98 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.66 -45.6 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.266 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 33' ' ' ASP . 18.6 tt -64.79 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.213 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.8 m120 -67.15 -45.81 75.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.45 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.17 -44.05 96.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.27 -44.13 96.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.15 -49.43 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.28 -44.13 63.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.78 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -60.62 -47.28 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.51 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.749 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -59.96 -42.26 93.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.94 91.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.96 -43.36 58.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 47' ' ' ARG . 11.6 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 mtm . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.823 0.344 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.0 p -113.03 33.1 5.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.54 138.34 32.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.081 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -128.69 50.37 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.678 ' OD1' HD12 ' A' ' 7' ' ' LEU . 1.5 t70 -81.76 129.25 34.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.855 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.523 ' CE2' HD21 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -63.55 -21.41 66.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.922 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.678 HD12 ' OD1' ' A' ' 5' ' ' ASP . 8.5 mt -55.03 -31.02 60.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.839 0.352 . . . . 0.0 110.987 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 8' ' ' LEU . 12.0 mt -63.28 -38.97 93.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.797 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.26 -35.37 71.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.544 ' CG ' ' HB1' ' A' ' 42' ' ' ALA . 2.9 t80 -66.37 -37.91 86.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.902 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.4 ttt180 -59.1 -37.77 77.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -66.88 -27.03 67.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.022 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.51 HG21 ' HB3' ' A' ' 18' ' ' SER . 38.5 mt -61.75 131.78 27.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.083 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 31.9 m -112.61 -33.74 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.5 m -84.46 137.04 33.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mt -68.52 -27.52 66.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.067 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -43.23 79.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.51 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -59.15 -26.03 64.41 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.6 tt -57.01 -55.45 34.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.031 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -63.28 -31.57 72.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.951 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.26 -50.26 28.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.937 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 22' ' ' LEU . 9.8 tt -59.65 -31.92 69.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.938 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -70.38 -58.99 3.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -60.76 -31.27 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.424 ' O ' HG23 ' A' ' 29' ' ' THR . 1.3 t-80 -71.59 -53.87 12.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.865 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD21 ' CE2' ' A' ' 6' ' ' TYR . 4.4 mm? -71.27 -30.57 66.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 t-20 -71.98 -25.05 61.69 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -91.06 -27.11 18.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.091 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.424 HG23 ' O ' ' A' ' 25' ' ' HIS . 6.7 p -63.14 -74.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.004 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.8 mt -94.28 -33.35 13.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.993 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.8 m 62.13 28.75 17.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -98.97 169.95 9.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.08 -24.67 65.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.567 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.7 mp0 -51.36 -58.46 6.16 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.454 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -65.45 -30.7 71.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.933 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 tt -67.49 -41.41 84.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.739 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 34' ' ' GLN . 18.9 tt -75.21 -28.94 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 61.9 m-20 -78.01 -48.52 15.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.09 -31.27 68.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -68.64 -45.18 72.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.18 -47.04 63.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.544 ' HB1' ' CG ' ' A' ' 10' ' ' PHE . . . -62.69 -44.73 95.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.01 99.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.069 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -69.96 -42.95 72.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -46.46 87.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -42.09 98.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.523 ' O ' HG12 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -69.62 -42.31 74.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.478 ' HA ' HG12 ' A' ' 51' ' ' VAL . . . -72.78 -35.6 67.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.049 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -68.01 -41.06 82.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.3 mt -68.44 -45.2 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 47' ' ' ARG . 12.4 p -71.78 -34.03 50.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.47 29.2 5.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -119.27 -91.31 1.35 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.44 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -155.95 118.1 0.82 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 32.8 mmt180 -65.69 135.73 55.36 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.769 0.318 . . . . 0.0 110.923 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 mt -108.78 146.01 34.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.888 179.911 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtp . . . . . 0 N--CA 1.484 1.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.188 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.52 -58.53 4.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.954 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 26.9 t -127.69 144.21 38.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.082 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.51 103.62 12.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -149.62 -174.75 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -59.75 -28.65 67.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.53 -30.71 65.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.982 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.04 -35.99 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -53.17 23.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.45 ' CD2' HD13 ' A' ' 22' ' ' LEU . 1.1 t80 -61.28 -32.16 71.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -71.62 -32.63 68.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.756 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tptt -72.49 -14.72 61.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.359 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.479 HG21 ' HB3' ' A' ' 18' ' ' SER . 41.4 mt -56.99 143.63 10.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.838 0.352 . . . . 0.0 111.004 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.4 m -104.64 -53.43 2.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.98 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 13.3 t -84.55 137.07 33.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 tt -68.55 -25.32 64.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.047 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -56.38 -33.89 66.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.479 ' HB3' HG21 ' A' ' 13' ' ' ILE . 22.8 t -60.95 -24.17 65.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.06 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.3 tt -54.64 -64.48 0.82 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -33.78 73.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.77 -50.78 69.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.765 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 10' ' ' PHE . 2.3 tt -63.04 -32.12 73.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.791 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.446 ' CD1' ' CE ' ' A' ' 39' ' ' MET . 1.8 t80 -62.48 -49.47 75.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.92 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -77.72 -39.53 44.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -60.65 -53.91 51.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.945 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 26' ' ' LEU . 11.7 tp -58.83 -31.27 68.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -75.31 -30.96 60.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -98.15 34.83 1.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.13 -62.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.481 ' O ' HG22 ' A' ' 31' ' ' THR . 13.1 mt -101.46 -26.4 13.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.98 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.481 HG22 ' O ' ' A' ' 30' ' ' LEU . 14.9 t 45.54 38.06 3.61 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.332 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -108.87 157.54 18.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.817 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -58.62 -24.69 61.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 37' ' ' ILE . 7.0 pt20 -57.33 -45.26 84.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.135 -179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.43 -30.73 70.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.042 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.4 -45.16 73.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.034 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 34' ' ' GLN . 12.8 tt -75.22 -33.35 28.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -71.0 -51.85 23.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.08 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.446 ' CE ' ' CD1' ' A' ' 23' ' ' TYR . 2.3 mtp -58.73 -47.3 85.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.064 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -60.2 -52.08 66.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.8 mtp85 -59.74 -49.3 78.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.011 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.44 -43.21 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -66.72 -47.66 71.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -59.49 -51.41 70.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -60.46 -46.47 89.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.1 ttt85 -63.87 -47.34 81.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.0 OUTLIER -59.33 -45.13 92.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.52 -48.61 80.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -64.05 -30.79 71.84 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.7 mt -69.53 -43.02 73.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.903 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 47' ' ' ARG . 21.7 t -76.86 -54.28 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.5 m -66.29 -32.06 73.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.35 -97.02 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.551 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.44 143.08 9.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 42.7 ttp180 60.62 107.48 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -116.98 -63.06 1.5 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.015 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.929 0.395 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 t -80.2 148.18 30.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.935 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t -133.03 136.95 54.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.1 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.81 120.73 29.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -162.17 84.98 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -68.89 -30.64 69.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.995 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.493 ' H ' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -59.57 -31.03 69.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.19 -41.98 89.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.812 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.1 mtpp -64.97 -48.48 73.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.562 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 2.4 t80 -60.29 -31.08 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ttt85 -57.84 -41.18 81.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.736 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.49 -26.61 65.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.064 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.776 HG23 ' HB3' ' A' ' 18' ' ' SER . 35.4 mm -61.36 102.31 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.928 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.1 p -93.87 -40.7 10.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 74.9 m -88.24 144.51 26.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.27 -31.64 71.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -59.52 -33.14 71.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.954 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.776 ' HB3' HG23 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -71.85 -24.31 61.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 179.869 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.69 -62.0 1.94 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.921 0.391 . . . . 0.0 111.075 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -58.64 -30.88 67.63 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.0 mttm -67.55 -40.07 84.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.9 tt -66.41 -42.82 87.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -60.5 -43.89 96.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -69.75 -37.29 76.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -64.09 -52.64 58.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' A' ' 26' ' ' LEU . 16.3 mt -60.28 -42.11 94.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -62.8 -27.31 69.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.997 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.8 t80 -97.24 34.19 1.82 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.31 -46.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.869 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.7 mp -100.27 -39.64 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.919 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.9 t 43.35 69.64 0.38 Allowed 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 35.2 p-10 -161.45 169.24 22.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.919 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -59.8 -24.73 64.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -54.79 -51.05 66.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.107 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.74 -30.59 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.96 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.21 -54.16 10.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.948 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 19.9 tt -59.6 -36.91 67.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.087 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -73.9 -48.56 29.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.979 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 1.8 tmt? -62.3 -40.78 97.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -61.43 -47.34 86.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.983 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 mtt-85 -63.3 -49.23 74.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.562 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -67.4 -35.83 80.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.194 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.03 -47.47 51.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.15 -46.92 88.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.2 m170 -60.59 -45.91 92.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -64.75 -51.57 61.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.597 ' O ' HG23 ' A' ' 51' ' ' VAL . 26.2 tpt180 -59.86 -44.16 94.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.957 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.32 -41.55 93.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.06 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -60.45 -45.02 95.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.7 mp -62.62 -35.71 80.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 47' ' ' ARG . 27.4 t -80.1 -32.45 13.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.059 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.2 -31.89 71.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 125.27 -144.38 15.11 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.5 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.13 61.65 0.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.644 -0.788 . . . . 0.0 112.502 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -114.98 31.61 6.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.937 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 56' ' ' LEU . 1.7 pt? -144.63 162.3 37.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 7.0 p90 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.779 0.323 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 m -80.44 -60.91 2.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.979 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.9 m -90.93 164.2 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.179 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -95.91 -178.39 4.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -68.37 99.08 0.89 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -26.55 66.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.088 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.9 mt -55.25 -35.92 65.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.986 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.61 -40.95 96.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.42 -33.54 69.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.688 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.8 t80 -59.43 -56.73 18.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.833 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.12 -30.87 68.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.954 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.85 -27.49 69.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.8 mt -62.95 137.05 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 -31.6 7.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 2.5 t -87.97 137.08 32.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.53 -29.17 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -56.63 -44.09 80.87 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.0 m -59.99 -28.01 67.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.983 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.4 tt -57.59 -57.95 10.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -59.65 -38.56 81.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -61.16 -42.46 98.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD22 ' CE2' ' A' ' 10' ' ' PHE . 8.6 tt -65.97 -36.25 82.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -60.3 -58.64 7.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.019 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.41 -31.1 70.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.802 ' O ' HG23 ' A' ' 29' ' ' THR . 38.7 m170 -61.75 -53.84 50.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.98 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.489 HD22 ' HE2' ' A' ' 39' ' ' MET . 3.0 mp -76.88 -31.55 56.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -58.32 -28.02 64.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.119 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.74 -30.13 15.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.802 HG23 ' O ' ' A' ' 25' ' ' HIS . 20.4 p -84.24 -61.31 1.84 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.942 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.476 ' O ' HG22 ' A' ' 31' ' ' THR . 4.2 mp -59.81 -40.0 86.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 30' ' ' LEU . 15.1 t 45.11 30.72 0.64 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.337 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.0 p30 -134.19 154.99 50.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.817 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -53.39 -25.21 14.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.29 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -32.03 67.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -64.76 -33.19 75.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.893 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.408 HD23 ' CE1' ' A' ' 40' ' ' TYR . 0.6 OUTLIER -69.56 -54.03 16.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.926 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 38' ' ' ASN . 6.4 tt -61.07 -39.95 84.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' N ' HG23 ' A' ' 37' ' ' ILE . 14.7 t30 -62.57 -53.5 53.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.96 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.489 ' HE2' HD22 ' A' ' 26' ' ' LEU . 0.0 OUTLIER -65.91 -40.21 91.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.97 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.408 ' CE1' HD23 ' A' ' 36' ' ' LEU . 3.3 m-85 -60.11 -44.4 94.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.0 mtt-85 -63.58 -49.27 74.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.917 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.688 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -66.92 -42.4 85.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.63 -43.06 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -60.38 -42.67 96.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -61.71 -46.68 88.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -66.78 -39.25 87.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.883 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.693 ' O ' HG23 ' A' ' 51' ' ' VAL . 0.5 OUTLIER -60.01 -43.58 95.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.82 -45.66 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.07 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.07 -39.69 94.62 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.505 ' C ' HD23 ' A' ' 50' ' ' LEU . 9.3 tt -61.97 -40.24 94.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.693 HG23 ' O ' ' A' ' 47' ' ' ARG . 26.2 t -76.67 -33.02 21.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.996 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 97.3 p -72.06 -31.73 66.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.06 121.24 26.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -90.1 107.73 3.46 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.558 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 26.7 ttp180 -107.87 24.72 12.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.782 0.325 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.6 mt 56.69 78.47 0.21 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.986 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 ttm . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.734 0.302 . . . . 0.0 111.255 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.577 HG23 ' O ' ' A' ' 2' ' ' THR . 8.1 t -129.96 87.91 2.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.9 m -100.72 155.65 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.183 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -83.5 128.82 34.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.938 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.86 125.4 54.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.705 ' OH ' HD11 ' A' ' 26' ' ' LEU . 2.5 t80 -61.15 -30.62 70.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.52 ' H ' HD12 ' A' ' 7' ' ' LEU . 3.0 mp -58.48 -32.9 69.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.94 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.3 mt -76.4 -32.05 58.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -63.61 -53.29 53.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.417 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 52.0 t80 -71.13 -36.15 72.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.5 ttt-85 -60.32 -37.94 82.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.782 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.5 tptt -61.39 -23.76 66.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.211 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -58.34 147.26 7.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.967 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 p -113.33 -53.43 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.05 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 69.6 m -75.58 136.94 40.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.056 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.57 -26.0 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.997 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -56.35 -37.02 69.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.98 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.3 m -58.34 -26.94 63.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.95 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.447 HD11 ' HB1' ' A' ' 43' ' ' ALA . 7.8 tt -58.3 -58.58 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.982 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -59.96 -32.08 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.962 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.8 mmtt -64.21 -49.73 70.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.408 HD22 ' HD2' ' A' ' 10' ' ' PHE . 4.4 tp -62.05 -38.7 89.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.967 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.431 ' CD2' ' HE2' ' A' ' 39' ' ' MET . 1.8 t80 -60.33 -56.8 17.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.73 -31.72 69.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -74.73 -53.63 8.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.705 HD11 ' OH ' ' A' ' 6' ' ' TYR . 13.7 mt -67.33 -46.33 73.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.006 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -60.5 -29.54 69.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.033 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 41.6 t80 -85.88 -32.1 21.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.036 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.7 p -86.43 -72.77 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.957 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.558 HD13 ' CD2' ' A' ' 26' ' ' LEU . 2.6 mp -59.86 -54.5 45.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.515 ' O ' HG22 ' A' ' 31' ' ' THR . 18.3 m 60.56 27.99 17.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -117.47 171.37 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.831 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -66.61 -24.69 66.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.049 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 37' ' ' ILE . 12.4 mt-30 -53.07 -51.69 60.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.251 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.2 -31.91 69.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.946 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.11 -54.16 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.458 HG22 ' O ' ' A' ' 34' ' ' GLN . 19.3 tt -61.85 -29.49 46.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -77.53 -51.13 11.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.088 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.431 ' HE2' ' CD2' ' A' ' 23' ' ' TYR . 0.9 OUTLIER -59.26 -46.47 88.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.852 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -49.62 75.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -49.35 74.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.417 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -65.45 -51.92 56.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.147 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.447 ' HB1' HD11 ' A' ' 19' ' ' LEU . . . -60.0 -48.29 82.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -59.17 -38.63 80.24 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.998 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -74.32 -51.03 16.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.34 -51.28 69.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.861 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.716 ' O ' HG12 ' A' ' 51' ' ' VAL . 4.5 tpt85 -59.6 -43.72 93.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.78 -39.25 93.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.196 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -75.68 -39.98 56.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.836 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.6 tp -66.61 -46.59 75.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.781 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.716 HG12 ' O ' ' A' ' 47' ' ' ARG . 12.5 p -67.47 -36.95 77.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.015 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 25.7 p -104.45 29.24 6.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -108.65 68.07 0.22 Allowed Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.519 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.04 -102.37 0.76 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.456 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.1 35.13 2.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.797 0.332 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tt -96.59 -56.3 2.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.927 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.2 ptp . . . . . 0 N--CA 1.487 1.413 0 CA-C-O 120.828 0.347 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 60.22 69.23 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.4 m -135.76 175.19 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -89.65 177.25 6.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -101.4 31.65 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -63.06 -26.91 69.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.477 ' HG ' HD12 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -55.77 -30.25 60.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.974 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.477 HD12 ' HG ' ' A' ' 7' ' ' LEU . 7.2 mp -61.41 -33.88 74.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.856 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.33 -42.72 68.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.578 ' O ' HD12 ' A' ' 13' ' ' ILE . 14.4 m-85 -69.9 -52.02 28.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 ppt_? -58.18 -24.77 60.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.13 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 tptt -54.33 -28.53 43.18 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.053 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.6 HG22 ' H ' ' A' ' 15' ' ' SER . 6.8 mt -65.16 126.33 23.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.027 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -108.47 15.27 24.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.39 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.6 ' H ' HG22 ' A' ' 13' ' ' ILE . 1.4 m -135.81 137.12 41.25 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.805 0.336 . . . . 0.0 110.956 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -31.04 70.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -60.09 -50.47 73.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.792 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 11.0 t -59.09 -27.15 65.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.016 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 tp -57.12 -52.67 64.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -63.72 -29.97 71.13 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.998 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -50.62 65.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.42 HD21 ' CE ' ' A' ' 39' ' ' MET . 8.4 tt -65.13 -32.94 74.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -63.26 -59.23 5.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -66.67 -29.88 70.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.964 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -58.65 -53.79 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.016 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.7 HD23 ' CB ' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -73.83 -28.83 61.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.016 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -70.09 -25.81 63.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.256 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.38 -27.27 20.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.273 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -79.26 0.16 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.976 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.92 -43.1 89.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.978 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.14 25.27 15.3 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 26.3 p30 -101.25 162.38 12.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -67.11 -24.6 65.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.11 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.488 ' O ' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.24 -48.53 76.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.241 -179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.7 ' CB ' HD23 ' A' ' 26' ' ' LEU . 2.2 pt-20 -59.22 -31.56 69.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.986 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.89 -54.1 36.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.488 HG22 ' O ' ' A' ' 34' ' ' GLN . 15.8 tt -63.68 -30.41 49.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.25 -54.11 28.94 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.42 ' CE ' HD21 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -66.65 -30.17 70.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.958 -179.873 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -52.64 64.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.003 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -49.31 77.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.68 -40.89 96.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.72 -48.85 58.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -59.8 -51.28 70.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -60.06 -47.55 85.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -60.91 -51.63 68.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -60.74 -47.89 84.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.5 -41.43 98.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -70.35 -30.53 67.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.5 mt -75.06 -27.89 60.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.163 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 52' ' ' SER . 14.1 p -93.34 -45.38 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.477 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.488 ' N ' HG13 ' A' ' 51' ' ' VAL . 0.1 OUTLIER -108.35 29.2 7.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.246 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 54.28 177.58 0.13 Allowed Glycine 0 C--N 1.331 0.26 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.683 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.8 -122.51 1.57 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.455 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 9.2 ttt180 61.22 98.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.833 0.349 . . . . 0.0 110.96 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 mt -112.59 -36.4 5.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.8 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.967 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 mtt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.805 0.336 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.04 179.58 4.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.5 m -75.08 159.69 5.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -176.33 -40.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.5 88.35 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -59.75 -26.65 65.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.062 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 8' ' ' LEU . 3.4 pp -56.0 -31.25 62.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.073 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 7' ' ' LEU . 2.9 tp -61.04 -41.53 96.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -71.43 -36.04 71.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.768 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 5.6 t80 -65.4 -56.71 11.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.963 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 -29.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.046 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -64.07 -24.97 67.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 18' ' ' SER . 20.4 mt -59.32 141.31 16.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.2 p -111.24 -30.33 7.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.984 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.53 137.11 32.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.929 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.43 HD11 HD22 ' A' ' 50' ' ' LEU . 5.4 mt -68.53 -26.67 65.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 23.3 tp10 -56.46 -33.53 66.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.066 -179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.504 ' CB ' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -64.12 -26.78 68.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.653 HD11 ' HA ' ' A' ' 43' ' ' ALA . 0.3 OUTLIER -56.99 -66.68 0.41 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.998 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.65 -30.96 69.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.945 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -65.71 -49.93 66.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.953 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.41 HD22 ' HE2' ' A' ' 10' ' ' PHE . 8.7 tt -69.25 -35.82 76.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -62.57 -57.81 9.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.06 -31.31 71.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -74.43 -53.76 8.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 26' ' ' LEU . 6.8 tp -67.35 -35.83 80.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -69.88 -30.75 68.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.978 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -83.99 -36.73 22.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.969 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 8.8 p -74.39 -54.45 7.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.427 HD22 ' HB3' ' A' ' 35' ' ' GLU . 4.8 mp -84.12 -54.86 4.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.925 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 31' ' ' THR . 37.6 m 60.94 42.59 12.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -130.15 171.41 12.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.21 -29.32 68.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.003 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.521 ' O ' HG22 ' A' ' 37' ' ' ILE . 2.3 mt-30 -58.43 -58.53 8.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.118 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HB3' HD22 ' A' ' 30' ' ' LEU . 2.7 pp20? -61.77 -30.57 70.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.846 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.43 -43.48 77.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 34' ' ' GLN . 19.3 tt -75.15 -30.14 22.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.162 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -72.66 -31.57 65.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.945 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.413 ' SD ' ' HB2' ' A' ' 43' ' ' ALA . 3.0 tmm? -84.0 -40.31 18.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.989 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.17 -45.27 95.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 25.3 mtp180 -59.93 -49.36 77.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.95 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.768 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -72.08 -32.43 67.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.653 ' HA ' HD11 ' A' ' 19' ' ' LEU . . . -67.03 -53.93 26.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.079 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -60.5 -45.68 92.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -63.27 -47.53 81.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.414 HH21 HD13 ' A' ' 50' ' ' LEU . 0.0 OUTLIER -61.19 -42.12 98.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 179.935 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 -68.03 -49.99 58.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.51 -47.15 86.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -62.58 -33.42 74.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.958 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.43 HD22 HD11 ' A' ' 16' ' ' LEU . 4.4 tp -63.29 -47.63 81.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.8 t -70.89 -30.96 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.9 m -98.32 29.24 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -93.25 -130.56 5.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.534 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.74 49.54 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.515 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.0 101.51 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.789 0.328 . . . . 0.0 110.885 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -101.95 101.73 12.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 6.1 t80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.959 -179.964 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.229 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.5 p -133.3 32.34 3.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.938 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.8 p -100.69 150.41 5.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.124 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.84 117.26 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 -99.23 106.08 18.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.915 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -69.65 -31.78 70.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.513 ' H ' HD12 ' A' ' 7' ' ' LEU . 1.4 mp -60.51 -31.8 70.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.57 -31.09 71.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.761 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -53.07 26.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.904 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -64.26 -27.5 69.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -54.66 -42.77 71.73 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.078 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.5 tptt -53.21 -26.58 18.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.259 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.4 mt -62.99 107.54 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.855 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 41.3 t -107.86 15.37 24.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.402 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.58 137.04 54.62 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.856 0.36 . . . . 0.0 110.936 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.53 -36.7 79.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -58.94 -41.14 86.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.9 m -59.02 -26.79 64.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.42 HD23 ' CD1' ' A' ' 23' ' ' TYR . 1.0 OUTLIER -57.25 -61.21 2.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.978 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -60.44 -40.75 92.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.57 -50.66 73.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.77 -31.21 71.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.425 ' CZ ' ' HB3' ' A' ' 39' ' ' MET . 0.2 OUTLIER -59.95 -47.24 86.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -77.65 -31.12 52.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.994 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -71.05 -53.76 13.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.93 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.483 HD23 ' HB2' ' A' ' 35' ' ' GLU . 4.0 tp -61.85 -32.27 72.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -78.73 -30.14 45.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.981 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -98.42 32.76 2.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -123.75 -74.01 0.63 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.74 -29.99 12.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.908 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 1.6 m 62.96 45.3 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -110.36 164.59 12.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.614 ' HA ' HD12 ' A' ' 36' ' ' LEU . 36.6 t70 -67.05 -24.65 66.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -55.63 -47.86 75.9 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.304 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.483 ' HB2' HD23 ' A' ' 26' ' ' LEU . 2.6 pt-20 -58.26 -32.37 68.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.142 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.614 HD12 ' HA ' ' A' ' 33' ' ' ASP . 5.4 mt -68.31 -53.94 20.84 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.7 tt -65.99 -29.23 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -75.95 -52.46 10.23 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.968 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.425 ' HB3' ' CZ ' ' A' ' 23' ' ' TYR . 0.8 OUTLIER -59.22 -50.93 72.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.039 -179.898 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.86 -34.32 72.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -73.99 -43.73 57.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.954 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.02 -47.91 60.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.121 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.63 -46.78 87.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -60.73 -47.31 86.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -66.57 -36.7 83.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.71 -44.9 72.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.534 ' O ' HG23 ' A' ' 51' ' ' VAL . 4.5 tpt180 -59.92 -58.73 7.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.56 -35.0 69.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.087 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -73.14 -32.16 64.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.3 tp -74.9 -34.96 62.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.968 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 47' ' ' ARG . 21.4 t -83.13 -22.05 8.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.418 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.4 t -96.36 29.2 2.96 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.111 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 112.98 138.6 7.19 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.527 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 139.54 88.67 0.17 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.572 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.88 169.14 17.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.843 0.354 . . . . 0.0 110.938 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -79.32 -72.26 0.4 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpp? . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.873 0.368 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.443 ' O ' HG13 ' A' ' 3' ' ' VAL . 4.5 t -120.61 34.84 5.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 2' ' ' THR . 16.0 m -157.5 139.9 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.057 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -164.61 -171.85 2.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 62.6 118.65 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -71.22 -32.09 68.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mt -60.37 -32.26 71.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.06 -31.27 71.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -53.26 59.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.844 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.451 ' CD1' ' HB1' ' A' ' 42' ' ' ALA . 3.0 t80 -73.77 -34.82 64.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.792 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -59.48 -38.63 81.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.82 -27.82 67.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.027 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.714 HG21 ' HB3' ' A' ' 18' ' ' SER . 31.1 mt -59.94 134.14 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.358 . . . . 0.0 111.006 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 m -113.51 -35.39 5.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.98 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 21.7 p -77.7 136.97 38.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -68.55 -30.63 69.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.99 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -56.45 -38.26 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.134 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.714 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -60.0 -29.88 68.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.939 -179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.8 tt -59.31 -64.84 0.8 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.023 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -59.4 -40.85 87.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.959 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.76 -50.55 73.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.927 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD21 HD12 ' A' ' 26' ' ' LEU . 9.7 tt -64.66 -30.9 71.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.948 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.411 ' CD2' ' HG2' ' A' ' 39' ' ' MET . 12.1 t80 -61.41 -59.28 5.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.002 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -63.23 -31.04 72.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.043 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' THR . 1.8 t-160 -63.09 -53.77 48.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.654 HD12 HD21 ' A' ' 22' ' ' LEU . 12.9 mt -75.59 -36.13 60.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -63.78 -29.5 70.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.99 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -93.35 -38.67 11.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.076 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 25' ' ' HIS . 81.4 p -78.6 -76.44 0.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.009 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 31' ' ' THR . 0.3 OUTLIER -63.01 -42.88 99.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.094 -179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.461 HG22 ' O ' ' A' ' 30' ' ' LEU . 15.2 t 44.96 30.89 0.62 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.348 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -107.48 160.07 15.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.817 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -58.52 -24.74 61.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.121 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 37' ' ' ILE . 20.5 mm-40 -56.93 -37.23 71.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.077 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.55 -30.75 67.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.023 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.19 -40.44 82.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.467 HG22 ' O ' ' A' ' 34' ' ' GLN . 17.2 tt -75.24 -27.33 19.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.294 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 23.0 m-20 -82.01 -52.44 7.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.203 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.415 ' HE1' ' CD1' ' A' ' 26' ' ' LEU . 0.0 OUTLIER -57.14 -50.66 72.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.254 -179.611 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -61.5 -51.85 66.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.103 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.9 mtp85 -57.89 -49.33 77.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.099 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 10' ' ' PHE . . . -68.68 -49.9 55.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.315 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.51 68.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.242 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -59.0 -38.8 80.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.021 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -73.66 -51.14 17.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.23 -46.08 85.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.655 ' O ' HG23 ' A' ' 51' ' ' VAL . 12.5 tpt180 -59.26 -49.17 78.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.99 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.96 -30.74 71.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -47.79 69.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.0 mp -62.14 -40.08 94.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 47' ' ' ARG . 25.6 t -69.44 -42.66 81.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.038 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.3 t -68.96 -31.92 71.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -175.35 162.44 31.95 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.459 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.39 70.81 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.523 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.6 mtp-105 -99.46 30.8 3.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.811 0.338 . . . . 0.0 110.876 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 33.7 mt -112.59 83.91 1.89 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 54.6 p90 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.777 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.3 mtt . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.891 0.377 . . . . 0.0 111.24 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 81.3 p -136.11 80.2 1.81 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.8 m -102.15 159.36 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.156 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -74.64 168.85 18.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -103.56 95.07 5.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 48.8 m-85 -60.51 -29.59 69.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.981 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 8' ' ' LEU . 3.9 pp -58.82 -31.2 68.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' N ' HD12 ' A' ' 7' ' ' LEU . 1.1 tp -61.96 -40.63 96.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.36 -33.16 69.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -67.44 -47.43 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.016 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -58.7 -27.03 64.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 tttm -66.72 -27.67 67.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.987 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.745 HG21 ' HB3' ' A' ' 18' ' ' SER . 28.2 mt -69.11 137.89 23.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.87 -32.31 6.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.7 m -86.38 137.09 32.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.961 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 16' ' ' LEU . 1.4 mp -68.43 -26.81 65.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.025 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -56.33 -42.19 77.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.745 ' HB3' HG21 ' A' ' 13' ' ' ILE . 0.2 OUTLIER -59.13 -26.71 64.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.942 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.45 ' HG ' ' HE2' ' A' ' 39' ' ' MET . 9.0 tt -55.98 -51.88 66.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -63.81 -32.89 74.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.937 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 mptt -65.98 -50.63 63.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.4 -30.64 71.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.001 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 18.9 t80 -68.06 -56.31 9.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.942 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -59.66 -41.68 91.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.537 ' O ' HG23 ' A' ' 29' ' ' THR . 1.7 t-80 -59.82 -53.77 54.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.007 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' HA ' HD23 ' A' ' 26' ' ' LEU . 12.6 mt -61.83 -33.28 73.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -75.6 -33.51 60.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -98.4 31.42 2.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.925 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.537 HG23 ' O ' ' A' ' 25' ' ' HIS . 1.2 p -123.61 -65.17 1.09 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.969 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.489 HD12 ' HB ' ' A' ' 29' ' ' THR . 6.0 mp -110.89 -32.21 6.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m 60.17 79.33 0.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.51 170.43 20.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.623 ' O ' HG22 ' A' ' 37' ' ' ILE . 0.6 OUTLIER -66.94 -30.35 70.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.978 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -37.44 75.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.044 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.92 -42.98 56.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.026 0.441 . . . . 0.0 110.46 179.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.2 tt -66.66 -45.6 78.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.266 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.623 HG22 ' O ' ' A' ' 33' ' ' ASP . 18.6 tt -64.79 -41.91 93.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.442 -0.344 . . . . 0.0 111.213 -179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.428 ' N ' HG23 ' A' ' 37' ' ' ILE . 2.8 m120 -67.15 -45.81 75.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.45 ' HE2' ' HG ' ' A' ' 19' ' ' LEU . 0.0 OUTLIER -63.17 -44.05 96.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.997 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -63.27 -44.13 96.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -60.15 -49.43 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.28 -44.13 63.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.092 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -59.83 -50.78 72.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.177 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -60.16 -46.97 87.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -60.62 -47.28 86.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.959 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.08 -49.51 69.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.749 ' O ' HG12 ' A' ' 51' ' ' VAL . 1.0 OUTLIER -59.96 -42.26 93.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.2 -40.94 91.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.056 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -75.51 -33.97 60.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.8 mt -73.96 -43.36 58.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.749 HG12 ' O ' ' A' ' 47' ' ' ARG . 11.6 p -71.79 -31.66 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.5 m -63.8 -31.96 73.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 87.29 -169.06 39.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 171.03 68.81 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.486 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.93 84.88 6.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.725 0.298 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -148.16 -52.43 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.814 179.999 . . . . . . . . 0 0 . 1 stop_ save_