data_2mkr_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 2mkr _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -161.27 156.48 24.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.47 150.87 19.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.24 105.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.38 126.15 48.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.2 mt -104.3 111.24 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.422 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 28.8 t80 -109.96 134.99 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 58.12 43.07 21.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.3 30.06 18.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.28 123.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -73.27 111.24 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.92 172.04 31.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -110.4 139.6 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.16 151.07 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.82 117.98 11.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.2 mt -89.5 134.62 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -116.03 105.54 12.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.63 31.4 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.19 -31.12 43.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.434 HG21 ' HD2' ' A' ' 24' ' ' PRO . 3.5 p -111.81 167.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 m -53.01 -67.57 0.55 Allowed Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.653 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 41.4 Cg_endo -67.04 -10.42 28.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.437 2.092 . . . . 0.0 112.809 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 61.35 -172.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.992 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -162.59 131.44 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 tt -109.07 108.83 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -97.72 143.51 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 46.0 t90 -133.33 113.94 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -114.83 138.92 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.0 p -59.11 146.17 39.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -59.6 -41.56 90.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.61 -58.49 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.61 90.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -176.9 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.41 131.64 56.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -148.67 136.29 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -129.28 148.93 51.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.91 126.56 41.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 p -138.87 124.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.51 140.55 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -80.56 -27.89 37.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -33.69 63.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 p -61.21 -28.9 69.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.5 mm -61.12 152.65 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -124.77 -44.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -130.0 161.7 30.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -126.41 133.95 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -152.51 141.09 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.99 167.11 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -73.35 153.93 90.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.14 157.54 61.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.8 70.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -66.33 -30.81 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 t -60.12 125.26 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.18 -31.11 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 97.29 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.84 115.88 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.414 ' CE ' ' CH2' ' B' ' 458' ' ' TRP . 69.0 mtm -151.52 148.73 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.67 161.34 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 0.4 OUTLIER -140.69 139.6 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 mt -124.61 132.0 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.6 mm -111.21 128.05 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.89 174.99 55.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 mttm . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -148.73 108.84 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -116.13 137.34 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -123.04 149.96 43.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.77 140.75 51.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.812 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.49 126.56 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.412 ' CD1' ' HG3' ' A' ' 97' ' ' MET . 53.9 m-85 -114.54 170.92 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 31.16 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -173.49 133.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.88 -31.85 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -67.85 -49.82 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.06 -48.93 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 91' ' ' PHE . 8.6 ttp -60.19 -31.24 69.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -76.34 -31.11 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.51 -30.21 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -75.22 -52.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -59.42 -46.32 89.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.5 ptp -58.22 -34.92 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.9 m -75.8 -45.6 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.63 -30.83 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -69.11 -30.64 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -83.3 -34.94 25.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.401 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 9.2 mt -64.91 -46.7 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -37.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.9 t -65.06 -27.93 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -86.57 -28.45 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 23' ' ' SER . 20.3 m-85 -96.08 -11.84 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.515 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.759 0.314 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.831 0.348 . . . . 0.0 111.062 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.47 -30.6 47.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.48 -42.67 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 12.1 tt -58.98 -27.64 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.414 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 41.9 m-85 -101.26 -31.35 11.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.8 p -176.37 159.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.52 146.39 8.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.57 95.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -113.54 127.14 55.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mp -97.26 116.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.416 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 38.3 t80 -118.06 137.55 52.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.86 32.42 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.63 36.73 8.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.33 135.11 60.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -79.33 105.05 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.35 -173.83 13.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -120.0 122.84 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -101.15 124.38 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.56 129.91 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.449 HD12 HG21 ' A' ' 18' ' ' ILE . 27.8 mt -89.19 134.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -105.29 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -103.45 30.03 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.35 -31.69 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.4 p -95.29 146.87 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -50.75 -66.58 0.63 Allowed Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.709 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 19.0 Cg_endo -59.97 -16.55 39.48 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.11 . . . . 0.0 112.695 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 64.05 148.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.65 156.2 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -111.63 148.03 34.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.774 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 m -121.08 141.0 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.416 ' CZ2' ' HB3' ' A' ' 9' ' ' PHE . 34.6 t90 -134.03 112.99 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -117.37 133.27 56.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 t -59.08 141.1 54.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -62.02 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -116.66 81.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.69 -132.86 1.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -162.26 36.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -122.05 118.77 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.7 p -135.43 139.89 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -134.37 150.64 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.84 147.53 49.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -142.12 137.41 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.85 134.35 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 mt -80.5 -28.32 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -57.02 -40.78 77.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -61.12 -24.86 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.0 mm -66.12 152.48 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 31.1 t0 -120.62 -54.77 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -134.52 166.4 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.403 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -134.92 148.78 50.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.52 132.09 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.53 167.22 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.9 p -84.5 156.14 62.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 165.51 30.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.551 2.167 . . . . 0.0 112.345 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.2 49.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -32.08 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.9 m -79.05 132.11 36.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.18 -43.49 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -67.49 85.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.95 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.412 ' HB2' ' CE1' ' B' ' 462' ' ' PHE . 1.7 mpp? -146.8 165.68 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.78 140.69 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.773 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.6 ttt180 -128.79 140.12 51.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -121.9 142.61 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.0 mm -118.3 140.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.37 157.01 17.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.752 0.311 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -152.33 121.45 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -118.59 155.72 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 4.3 ppp? -134.6 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 12.2 m-85 -129.68 164.41 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.1 142.64 35.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 7' ' ' ALA . 28.1 m-85 -140.2 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -144.19 31.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -144.76 115.31 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -68.3 -30.23 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.3 m -83.42 -29.37 28.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.59 -37.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.304 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -57.0 -32.0 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.07 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.29 -29.82 38.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -67.56 -30.08 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.4 mm -74.36 -51.53 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -59.68 -46.57 88.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.8 ptp -59.09 -29.69 67.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 m -80.75 -25.52 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 mt -84.28 -27.4 27.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.01 -30.72 34.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.99 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -72.48 -41.24 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.1 -49.18 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.55 -46.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.8 p -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -69.43 -37.93 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -89.79 -11.91 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.364 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.439 ' HB3' ' CE2' ' B' ' 462' ' ' PHE . 9.5 m95 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.607 0.242 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.5 53.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -100.08 -6.07 26.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 10.0 tt -100.05 -44.82 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 44.6 m-85 -81.57 -57.24 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.6 m80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 p -170.42 161.52 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.69 155.48 26.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.577 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 96.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 111.208 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.57 136.54 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 mt -114.25 125.63 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -123.83 123.3 40.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 62.7 49.21 3.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.077 0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt 56.42 33.09 21.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.198 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -119.51 118.17 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 111.062 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -74.96 108.58 7.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.68 179.06 23.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.6 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mm -113.94 137.77 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.402 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 1.2 tt -101.13 150.01 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.7 119.48 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 18' ' ' ILE . 28.8 mt -89.16 134.54 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -102.19 104.29 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.57 25.54 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -96.86 -30.88 12.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.723 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.414 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 12.3 p -101.99 147.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.639 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -43.26 -68.87 0.24 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.101 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 55.6 Cg_endo -69.2 81.31 0.68 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.269 1.98 . . . . 0.0 111.506 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.66 130.79 4.05 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -121.79 152.29 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 5.9 tt -118.47 115.47 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -98.43 148.01 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -139.7 110.34 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -109.29 131.56 54.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -57.92 162.26 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -57.56 -39.91 77.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -91.24 -31.23 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.81 34.68 5.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.06 -37.21 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -130.84 134.04 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 p -148.74 129.15 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -129.77 150.54 51.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 144.79 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.11 137.06 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.6 t -74.87 119.27 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.98 -28.88 67.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -56.51 -30.42 62.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.6 p -66.0 -29.32 69.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.1 mm -59.98 157.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -124.59 -54.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -130.06 161.43 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mp -121.97 145.4 48.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -152.44 143.7 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.85 167.15 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.2 p -70.19 149.74 96.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.22 165.43 31.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.628 2.219 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -31.49 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -67.85 -32.38 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.4 t -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.1 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -82.16 106.73 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.3 mtm -86.63 113.44 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.8 mtm -147.59 152.96 38.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -110.65 159.2 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.0 OUTLIER -145.8 143.5 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -124.54 142.5 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.8 mm -123.46 112.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.27 174.27 55.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.541 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -141.18 105.49 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -113.54 130.14 56.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.3 ptm -116.2 139.27 50.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -124.25 163.85 20.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.82 122.85 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.22 170.89 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -127.63 30.96 5.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -172.42 142.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -82.71 -31.6 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -72.04 -43.36 65.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.24 -51.77 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.1 ptm -60.17 -31.14 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.94 -31.48 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -80.06 -24.79 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mm -76.64 -52.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -62.25 -45.39 93.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.43 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.3 m -84.21 -26.46 28.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.73 -29.4 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -74.98 -40.0 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.052 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.67 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.38 -58.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.95 -32.07 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -76.3 -31.49 58.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -72.64 -31.4 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.22 10.88 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.7 mttm . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.858 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.811 0.338 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.68 -32.04 59.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -70.81 -45.41 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.9 tt -59.05 -29.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 39.7 m-85 -102.99 1.8 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.454 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.387 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 p -176.71 131.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.15 139.34 7.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.33 102.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.64 133.43 55.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.04 115.6 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 15.2 t80 -119.23 134.84 54.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 62.53 33.15 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? 64.32 35.34 9.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -127.87 136.6 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 110.57 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.34 168.27 29.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mm -105.58 134.66 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 111.061 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.402 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.09 151.11 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.68 129.02 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 18' ' ' ILE . 30.0 mt -98.97 135.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -102.77 97.55 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -84.6 -23.95 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -53.53 -30.96 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 11.2 p -90.84 146.81 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -57.81 -65.83 1.63 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.656 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 20.6 Cg_endo -60.99 -15.36 38.51 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.801 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HA ' ' CG1' ' A' ' 22' ' ' VAL . . . 62.87 150.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -144.82 146.98 32.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.402 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.5 tt -116.22 107.96 15.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -98.02 136.76 37.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 50.2 t90 -128.39 117.53 21.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 137.28 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 t -59.01 157.79 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -58.93 -31.42 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -96.09 -44.24 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.21 46.79 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.62 -42.32 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -127.14 125.23 40.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.6 p -139.39 137.38 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 39' ' ' THR . 12.7 t60 -144.0 150.64 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 3.5 m -127.14 146.09 50.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.05 146.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.89 128.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.9 mt -80.62 -29.83 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -58.52 -39.66 80.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.3 t -59.23 -27.39 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.57 151.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -124.92 -50.26 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.1 132.91 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.571 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 pp -120.84 136.24 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.0 164.2 21.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.73 167.18 29.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.5 p -87.42 150.77 49.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.42 164.47 35.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.579 2.186 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.45 68.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -66.39 -31.3 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.3 t -60.18 127.29 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.11 -31.16 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 117.79 34.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -90.93 118.86 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mtm -145.42 164.83 30.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tt -132.18 160.23 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.434 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -142.74 142.5 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 mt -124.68 142.38 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.9 mm -117.45 111.11 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.67 -174.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.589 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.6 mttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -150.03 117.96 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -120.15 140.13 51.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.3 ptm -121.06 122.4 40.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 17.7 m-85 -110.5 164.46 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.51 157.37 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -145.54 147.71 32.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.15 -31.66 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.53 145.11 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.1 m -60.09 -47.82 84.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.91 -41.26 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -60.29 -32.68 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -75.5 -31.73 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.65 -39.96 94.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.72 -55.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -58.17 -49.16 77.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.5 -52.35 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.6 m -61.11 -40.73 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.94 -46.38 89.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.46 -30.67 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -76.6 -42.26 43.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.39 -39.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mt -72.68 -36.9 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -67.85 -31.97 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.14 -41.19 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -93.52 9.78 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.89 -27.69 36.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.058 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -39.77 20.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.124 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 9.5 tt -56.69 -28.65 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.374 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 48.9 m-85 -102.18 -29.01 11.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.11 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' HG21 ' A' ' 103' ' ' THR . 1.8 m80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -177.21 140.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.62 146.4 13.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.04 118.17 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.054 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.4 ' HB1' ' CE2' ' A' ' 91' ' ' PHE . . . -134.23 134.64 42.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.409 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 3.1 mp -102.16 129.9 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 89' ' ' PHE . 10.9 t80 -130.46 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 61.0 43.9 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 60.09 35.47 21.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.12 132.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.6 p -86.15 119.01 25.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.82 172.33 33.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.6 135.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.0 129.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.9 124.27 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 18' ' ' ILE . 22.8 mt -89.82 136.75 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -103.34 109.44 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.47 -25.06 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.39 -30.97 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.892 0.377 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.435 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 12.4 p -97.83 145.62 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.76 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER -58.24 -67.54 0.91 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 86.0 Cg_exo -43.91 -28.89 2.29 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.336 2.024 . . . . 0.0 112.579 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.52 121.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.744 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.74 146.24 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -108.49 111.03 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.436 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.72 148.9 22.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.182 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -139.75 107.54 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.574 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 132.52 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.3 p -59.42 156.3 13.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.3 p -57.7 -38.9 76.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -30.86 45.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 39.15 5.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.6 -32.22 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -125.64 126.31 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 p -148.75 143.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -145.1 150.61 37.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 m -117.96 145.19 44.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.15 123.75 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.06 119.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.02 -28.95 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 p -66.65 -27.17 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.984 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.3 mm -57.89 154.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -115.63 -54.83 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -139.77 171.3 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 mp -125.36 140.76 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -152.6 139.43 18.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.014 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.49 167.22 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -79.18 154.24 77.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 151.58 68.08 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.534 2.156 . . . . 0.0 112.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -28.78 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 m -66.36 -30.2 70.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -59.23 150.44 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.19 -47.63 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 127.38 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.7 mtm -96.97 113.75 25.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 77.5 mtm -151.41 165.69 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tt -135.31 140.38 45.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -116.98 112.0 20.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 142.53 27.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' CG1' ' HG3' ' A' ' 47' ' ' LYS . 30.5 mm -111.46 140.54 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.37 163.32 16.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.834 0.35 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.99 101.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -121.13 129.12 53.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.419 ' HE2' ' CZ ' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -112.93 149.87 32.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 9' ' ' PHE . 88.0 m-85 -122.6 162.57 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -106.66 153.09 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CE2' ' HB1' ' A' ' 7' ' ' ALA . 55.9 m-85 -150.45 169.06 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -137.23 31.4 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -154.01 141.26 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -31.27 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.2 m -80.17 -45.96 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.4 t -62.59 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.81 -31.57 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.6 -31.92 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.62 -41.73 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.2 mm -68.77 -54.65 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -58.85 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.3 ttp -58.82 -43.87 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.414 HG21 ' CD2' ' A' ' 3' ' ' HIS . 87.1 m -71.47 -28.25 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -29.33 49.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -72.03 -30.34 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -73.93 -28.7 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 13.6 mt -72.85 -39.98 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.7 mt -75.32 -37.44 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -65.27 -31.34 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -74.71 -31.91 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -101.06 10.3 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.322 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.44 -28.76 46.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -86.74 -42.29 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.09 -29.04 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.295 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.442 ' CG ' ' HB2' ' A' ' 61' ' ' ARG . 37.2 m-85 -105.64 12.3 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.393 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.912 0.387 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.9 p -165.26 148.35 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.05 143.15 9.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.49 100.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.04 137.24 51.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 3.1 mp -98.53 137.37 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.412 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 13.0 t80 -135.83 116.69 14.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.96 51.73 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.67 30.19 18.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.158 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -121.54 127.63 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.2 108.82 17.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.4 169.73 25.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 mm -108.23 135.24 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.05 144.87 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 119.68 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.8 mt -89.37 136.13 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -106.37 110.82 23.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.48 29.13 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.31 -32.19 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -104.35 148.39 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.84 -64.97 0.9 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 18.0 Cg_endo -59.22 -17.74 40.86 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.585 2.19 . . . . 0.0 112.581 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.52 169.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.978 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -156.66 146.08 20.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 tt -113.63 112.61 23.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.628 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -97.78 147.97 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 56.4 t90 -137.77 107.58 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -106.13 125.53 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -57.68 160.87 4.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -58.15 -32.12 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -96.85 -38.97 9.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.95 45.5 1.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.7 -40.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -119.27 121.22 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.39 139.31 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -144.24 150.64 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.27 108.97 17.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.52 129.8 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.7 t -75.46 120.04 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.3 mt -55.87 -25.46 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 -31.6 63.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.5 t -65.51 -27.89 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.26 152.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -124.89 -51.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CG ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.06 171.41 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mt -128.04 125.01 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -143.0 136.01 28.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.27 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 p -72.42 153.42 91.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 152.32 68.81 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.98 -28.88 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -58.7 135.38 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.09 -37.88 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 137.64 41.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -101.88 125.52 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.2 mtm -150.72 165.67 32.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.84 153.35 46.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.3 ttt180 -138.1 143.8 40.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 mt -124.62 140.21 53.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.404 ' CG1' ' CG ' ' A' ' 47' ' ' LYS . 42.4 mm -105.28 123.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 170.28 18.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.874 0.369 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -152.31 115.54 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -101.72 121.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.6 ptm -110.92 141.81 43.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -126.96 164.33 21.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -113.57 154.84 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -146.89 170.59 16.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -131.87 31.06 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -171.0 127.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -72.94 -31.48 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.8 m -76.16 -34.97 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.16 -52.36 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -60.32 -33.81 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -31.36 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.52 -28.09 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.8 mm -73.52 -51.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.17 -47.36 85.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.3 ptp -58.55 -31.21 67.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.4 m -83.68 -26.08 30.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -27.38 33.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -30.53 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -73.29 -29.62 62.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.449 ' CG2' ' CE2' ' A' ' 111' ' ' TYR . 14.3 mt -76.32 -41.88 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.4 mt -73.85 -33.4 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.3 p -62.5 -28.49 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -89.4 -27.14 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 14.9 m-30 -95.64 -11.91 26.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.7 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 0.0 111.012 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.752 0.311 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -83.45 -27.19 29.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -92.4 -34.75 14.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.7 tt -58.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 64.2 m-85 -91.59 12.19 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.398 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.1 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m 60.17 159.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.11 164.87 31.54 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.85 121.46 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mp -101.85 117.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.414 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 14.9 t80 -121.53 134.72 55.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.18 35.17 15.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.95 31.66 13.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.69 133.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.8 p -81.58 117.08 21.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.09 168.58 31.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.8 mm -105.54 136.56 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.14 134.59 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.046 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.67 115.89 22.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 18' ' ' ILE . 25.9 mt -89.11 133.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -109.05 97.46 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -105.92 27.73 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.11 -30.84 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 m -83.85 -178.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.06 -60.86 2.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.348 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 62.5 Cg_endo -73.33 -33.13 7.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.532 2.154 . . . . 0.0 112.747 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 64.18 132.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -132.51 169.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 111.441 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tt -123.82 116.0 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.552 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -97.71 150.72 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.123 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 56.2 t90 -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -111.06 136.96 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 t -59.39 144.25 47.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 p -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -168.58 76.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.97 -111.47 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -174.42 36.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 119.79 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -132.95 139.27 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -132.83 147.31 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.91 147.84 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -141.52 120.9 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.1 t -76.75 103.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -55.38 -23.74 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -42.95 89.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.9 t -71.11 -27.38 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.19 151.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -122.41 -44.0 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -129.99 166.7 19.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 pp -148.51 115.04 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.86 164.14 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.985 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.46 146.48 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.6 p -59.52 149.28 71.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.19 158.23 57.06 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.537 2.158 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.11 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -66.35 -30.23 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -59.44 129.03 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.89 -30.99 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 118.75 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -84.62 122.44 29.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.4 mtm -142.26 152.28 42.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -123.64 152.34 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HG2' ' CD1' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -145.87 152.09 38.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.407 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -121.68 142.48 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.7 mm -98.44 139.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.79 163.96 48.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.795 0.331 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -131.34 107.09 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -101.82 143.24 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.781 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.424 ' HE1' ' CD1' ' B' ' 458' ' ' TRP . 0.2 OUTLIER -132.76 139.12 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.57 163.16 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.82 138.53 45.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.84 170.9 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -138.33 34.31 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -167.67 141.29 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -82.42 -38.14 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.32 -31.09 62.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 t -74.25 -36.7 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.8 ptm -77.98 -31.29 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.37 -31.13 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -74.51 -30.35 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mm -75.47 -51.13 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -60.24 -45.92 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -58.73 -31.5 68.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.1 m -72.46 -52.93 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -41.08 85.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -58.48 -30.62 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -86.73 -43.31 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.415 HG21 ' CE2' ' A' ' 111' ' ' TYR . 13.7 mt -63.77 -44.32 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.039 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.47 -30.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -82.84 -31.03 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 mtp-105 -71.87 -34.47 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.415 ' CE2' HG21 ' A' ' 107' ' ' ILE . 22.9 m-85 -91.08 10.75 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.337 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mttm . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.424 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.762 0.315 . . . . 0.0 111.105 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.6 -28.07 56.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -46.48 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.5 tt -56.86 -25.06 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.411 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 40.1 m-85 -100.46 -30.56 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.7 p -176.85 140.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.02 135.61 3.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -62.21 101.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 91' ' ' PHE . . . -113.61 142.66 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.77 124.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.419 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 4.7 t80 -124.0 128.87 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 59.62 43.98 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.32 30.39 19.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.048 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.33 129.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.987 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.29 120.0 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.64 170.55 33.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.63 136.03 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 1.2 tt -101.1 151.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.73 127.68 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.438 HD11 HG23 ' A' ' 18' ' ' ILE . 30.2 mt -97.31 135.53 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -116.96 115.12 24.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.6 29.69 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.95 -31.98 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.423 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 7.8 p -120.17 151.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.514 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -46.46 -59.63 4.76 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.761 -179.329 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 33.3 Cg_exo -57.74 -18.45 33.82 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.359 2.04 . . . . 0.0 112.533 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 68.37 174.94 0.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.45 132.96 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.193 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.5 tt -114.76 107.96 16.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.432 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -98.14 136.87 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.419 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 70.2 t90 -129.26 107.49 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.687 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -107.98 140.38 41.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.7 p -58.17 157.31 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.9 -61.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.61 62.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -132.1 -60.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -102.15 136.29 42.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.9 p -148.75 139.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -137.88 144.78 41.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.93 138.77 52.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p -142.14 130.23 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.1 t -68.24 118.78 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.29 -23.7 57.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -56.86 -31.62 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.141 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 t -66.3 -29.18 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.004 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.9 151.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -124.87 -49.94 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -130.04 162.49 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -123.16 141.94 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -152.61 130.9 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.9 167.23 22.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 p -75.56 154.18 85.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.81 160.54 49.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.571 2.18 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.55 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.36 -31.54 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.6 p -61.86 142.63 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -80.81 -51.87 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -76.28 93.24 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.65 113.33 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mtm -147.27 165.76 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.53 164.5 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HD3' ' CD2' ' B' ' 462' ' ' PHE . 13.8 ttp85 -145.78 112.49 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mt -92.85 142.02 27.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 mm -115.5 107.39 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 169.22 40.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.557 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -148.92 99.52 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -115.4 154.5 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.421 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.0 ppp? -136.32 150.06 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -136.16 126.0 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.785 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.13 153.13 26.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.42 ' CZ ' ' HB1' ' A' ' 7' ' ' ALA . 14.5 m-85 -143.51 166.62 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -130.7 34.33 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.41 128.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -68.59 -40.97 80.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -67.25 -39.61 86.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.3 t -73.58 -38.85 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.018 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.7 ttp -71.84 -33.64 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -31.72 71.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -66.28 -37.54 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.417 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 30.4 mm -68.79 -54.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -58.79 -42.1 88.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.4 ttp -64.95 -44.48 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 84.4 m -65.63 -48.82 70.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.14 -41.85 93.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -59.41 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -81.16 -40.67 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 7.1 mt -64.42 -42.77 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.0 mt -72.51 -40.59 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 m -69.87 -31.51 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.55 -31.68 72.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CE2' ' O ' ' A' ' 23' ' ' SER . 4.8 m-85 -97.72 9.16 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.367 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.9 mttp . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.433 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.777 0.322 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.73 -33.83 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.02 -44.07 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 10.4 tt -64.02 -26.0 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.425 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.424 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 28.8 m-85 -99.29 -28.71 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.236 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -163.57 163.57 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.92 156.92 24.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.45 107.25 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.39 156.29 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.1 mt -130.64 115.69 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.482 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.5 t80 -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 60.98 30.91 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.95 37.83 9.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.034 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -128.37 129.37 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -75.35 121.69 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.06 -177.23 34.93 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.0 mm -112.74 128.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.431 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -101.12 125.79 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.59 136.95 43.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.464 HG22 HD13 ' A' ' 18' ' ' ILE . 29.1 mt -89.18 135.03 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -107.55 112.22 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.98 26.52 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -97.78 22.66 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.413 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 9.6 p -154.23 146.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -44.29 -69.57 0.22 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.892 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 56.6 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.119 1.88 . . . . 0.0 111.469 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.07 118.97 1.08 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.732 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -121.7 147.57 45.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.094 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.79 130.2 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -99.04 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.431 ' CD1' HG13 ' A' ' 16' ' ' ILE . 29.1 t90 -142.53 112.28 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.729 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -115.6 132.35 56.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 p -58.1 154.67 12.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.6 p -57.64 -48.49 79.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.96 -31.62 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.21 44.08 4.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -115.58 -38.78 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.19 135.97 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 p -148.05 127.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -127.7 150.57 49.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 147.77 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 p -135.8 112.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.72 104.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.39 -28.04 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -56.57 -30.48 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.8 p -68.81 -28.76 67.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.48 154.55 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -119.59 -49.76 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.06 158.81 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.44 140.87 41.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -143.53 143.65 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.47 162.34 41.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 p -69.15 154.07 95.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 161.81 44.46 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.587 2.192 . . . . 0.0 112.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -66.38 -32.03 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 123.16 17.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.01 -32.17 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 110.31 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtm -86.43 118.35 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -141.89 162.71 34.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -129.62 147.31 51.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -145.85 133.18 20.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 2.1 mm? -104.1 142.51 34.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.7 mm -107.24 99.91 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.96 172.74 6.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.344 . . . . 0.0 110.865 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -144.14 123.38 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -115.01 117.29 30.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.415 ' HE2' ' CZ ' ' B' ' 462' ' ' PHE . 5.0 ppp? -101.52 149.46 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 64.2 m-85 -131.63 154.06 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.92 128.93 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -127.28 170.53 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -141.54 31.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -169.91 123.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -37.46 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 m -61.41 -33.06 73.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.4 t -74.12 -50.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -60.38 -32.71 71.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -63.31 -36.89 85.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -72.76 -39.77 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.8 mm -69.69 -54.83 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -57.97 -49.06 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.61 -50.95 71.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.2 m -62.63 -41.48 99.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -40.54 86.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -61.09 -31.07 70.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -72.32 -31.21 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.404 HG22 HD13 ' A' ' 107' ' ' ILE . 34.4 mt -74.12 -34.93 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.1 mt -77.28 -41.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 p -67.76 -31.4 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -71.56 -32.13 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 107' ' ' ILE . 23.3 m-85 -91.87 11.25 25.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.305 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.414 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.769 0.319 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.22 -38.81 85.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.99 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.4 tt -60.88 -29.33 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.415 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 41.8 m-85 -103.89 12.1 34.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.363 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.2 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -156.74 141.47 16.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.53 164.0 36.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.541 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.57 123.85 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -109.98 129.31 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 5.8 t80 -103.04 101.75 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 8.3 pt-20 40.16 22.0 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' GLU . 6.0 mttt 158.58 -62.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.7 t -69.73 132.2 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.6 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -110.1 114.67 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.5 -169.58 11.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -108.66 130.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.334 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -101.01 151.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 126.15 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 18' ' ' ILE . 29.7 mt -101.24 134.31 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -104.11 97.86 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.44 -22.63 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.52 -30.0 28.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.402 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -93.89 146.66 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.5 m -56.42 -66.08 1.32 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.663 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 23.2 Cg_endo -61.56 -14.31 34.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 112.77 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.76 154.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.88 137.34 26.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.4 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.6 tt -114.06 107.94 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -100.93 135.91 41.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.074 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.1 t90 -123.65 110.78 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -106.52 138.5 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.54 144.3 57.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 m -60.12 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -148.45 83.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.41 -127.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -160.18 31.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.74 118.91 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.22 137.84 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -130.52 148.44 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -127.93 132.16 49.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.11 122.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.33 126.54 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.17 -31.21 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -28.6 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 p -64.92 -28.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.7 mm -57.82 152.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -122.5 -40.61 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -130.03 169.92 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.9 mt -135.45 112.93 10.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.8 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.58 131.12 43.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.13 167.25 23.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 p -83.2 147.21 53.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.44 165.53 32.41 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.542 2.161 . . . . 0.0 112.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.88 -29.77 67.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -66.44 -31.28 71.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.8 p -60.04 153.27 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -79.74 -40.47 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -95.57 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mtp -80.36 113.38 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.41 ' HE1' ' CZ ' ' B' ' 462' ' ' PHE . 51.5 mtm -151.53 163.44 39.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 tt -133.36 159.29 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -145.83 135.76 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.85 142.54 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.1 mm -113.36 120.52 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.39 164.04 43.35 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -109.44 110.88 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -101.77 129.89 48.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.423 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.3 ptm -110.47 114.69 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -110.41 136.48 49.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -91.71 158.02 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' A' ' 97' ' ' MET . 35.2 m-85 -140.67 170.85 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.22 34.19 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -169.55 124.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -34.05 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.72 -37.27 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.79 -46.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.415 ' HA ' ' CD2' ' A' ' 91' ' ' PHE . 27.1 ttp -59.99 -32.13 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -82.64 -31.62 28.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.8 -26.77 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.402 HG13 ' CE2' ' A' ' 91' ' ' PHE . 35.1 mm -74.41 -51.65 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -59.02 -47.19 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -58.12 -28.57 64.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.996 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.5 m -82.35 -31.27 29.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -42.21 24.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -57.98 -29.14 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -44.83 20.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.7 mt -64.57 -42.38 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.1 mt -72.46 -42.44 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 m -68.7 -31.93 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -70.41 -30.96 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -104.9 9.95 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.368 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.459 ' CE3' ' CD1' ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 111.078 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.4 -21.72 63.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.02 1.71 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.626 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . 0.459 ' CD1' ' CE3' ' B' ' 458' ' ' TRP . 41.3 mt -100.13 -33.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.4 m-85 -109.75 8.08 24.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.569 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.832 179.838 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 m80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -167.48 -178.44 3.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.57 160.75 10.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.87 135.83 57.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 16' ' ' ILE . . . -153.26 129.27 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 2.4 mp -102.79 120.54 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 7.2 t80 -102.92 114.69 29.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 73.88 -45.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.529 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -179.46 -32.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -69.25 133.84 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 111.239 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.05 116.68 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.3 -171.41 12.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.54 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -108.74 124.56 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.4 ' CD1' ' CB ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -101.0 129.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.07 121.86 19.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.7 mt -89.19 135.17 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -112.95 111.34 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.34 29.91 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -85.71 -34.48 21.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -98.58 148.03 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.467 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -49.58 -65.35 0.86 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.712 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -59.1 -18.22 42.57 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.563 2.176 . . . . 0.0 112.605 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.97 156.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.04 141.36 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tt -106.54 118.55 36.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.666 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.85 120.32 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 35.8 t90 -113.73 109.86 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -100.15 144.64 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -75.51 142.22 42.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 m -69.03 -40.61 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.32 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.09 -171.7 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -130.71 71.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.72 125.73 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m -108.69 149.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.213 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -127.64 110.59 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.42 118.81 27.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -125.69 109.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -59.81 123.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.38 -27.2 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -32.49 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -63.44 -29.88 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -60.9 152.64 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -121.43 -46.2 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -130.01 157.57 41.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mp -108.34 139.48 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.784 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -140.86 141.97 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.05 166.91 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 p -70.35 149.45 95.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.44 156.72 60.96 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 112.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.34 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -66.38 -31.79 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.5 t -73.87 125.18 27.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.55 -31.09 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.68 117.06 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mtm -106.25 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.4 mtm -151.55 147.92 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tp -112.32 132.61 54.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -135.36 124.41 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.9 142.53 33.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mm -102.24 130.49 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.48 165.08 49.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 mttp . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.859 0.362 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -148.28 93.9 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -101.8 129.37 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.42 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 0.2 OUTLIER -112.18 149.91 31.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.462 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 98.0 m-85 -128.72 152.22 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.95 138.53 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -134.39 159.47 40.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -134.39 34.29 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -162.92 113.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -64.4 -31.78 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.7 82.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.15 -33.12 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.43 -35.53 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.93 -41.49 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -60.55 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.87 -54.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -60.24 -32.32 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.5 ttm -75.35 -43.79 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -61.98 -47.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.61 -44.49 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -58.5 -30.1 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.89 52.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.02 -41.97 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.3 mt -71.28 -43.13 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 m -63.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.12 -31.46 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -98.75 10.96 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.07 -27.96 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.34 -1.17 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.514 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . 0.436 HG23 HD11 ' B' ' 461' ' ' ILE . 12.6 tt -99.56 -39.9 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.1 m-85 -88.16 -31.99 18.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -164.62 166.02 20.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.75 161.75 23.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.81 138.49 57.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.82 127.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.402 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 2.9 mp -102.09 124.13 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 12.6 t80 -127.54 131.46 50.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.34 37.03 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 62.54 36.39 13.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -132.84 134.07 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.19 127.61 33.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.22 170.81 37.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 mm -105.56 135.46 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -101.06 140.48 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.025 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.93 122.41 18.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 18' ' ' ILE . 28.3 mt -89.19 134.52 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -100.96 113.71 26.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -101.45 27.73 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.39 -37.88 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.33 146.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.6 m -49.27 -66.75 0.53 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.79 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 20.4 Cg_endo -60.66 -16.23 41.99 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.473 2.115 . . . . 0.0 112.785 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.55 160.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.92 162.53 39.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tt -119.39 116.94 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -97.79 145.86 25.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 53.7 t90 -136.3 110.18 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -108.79 136.35 48.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 p -59.69 143.81 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 t -60.36 -46.36 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -125.5 -43.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.6 -169.82 0.17 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -122.54 30.32 6.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.3 118.7 37.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 p -133.71 139.16 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -133.47 150.6 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.39 145.45 48.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 p -142.1 121.76 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.37 109.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.58 -22.71 67.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.7 -45.57 74.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -61.03 -29.17 69.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.93 153.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -124.83 -48.13 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.07 159.62 36.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -132.72 152.9 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.4 135.73 19.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -122.9 159.36 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -76.85 160.38 76.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.83 139.15 39.29 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.51 2.14 . . . . 0.0 112.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.51 -29.38 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -66.4 -31.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -68.21 165.69 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -92.47 -45.44 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -73.47 86.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.3 mtm -79.23 114.83 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 47.8 mtm -151.51 165.68 33.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 tp -123.62 156.61 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HD3' ' CD2' ' B' ' 462' ' ' PHE . 0.6 OUTLIER -144.14 125.61 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.55 123.51 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.6 mm -86.74 134.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.62 -164.53 9.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -152.73 105.11 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -106.69 151.86 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.427 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -136.36 149.87 48.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 84.3 m-85 -127.95 143.74 51.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.829 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.71 149.4 26.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' A' ' 97' ' ' MET . 27.0 m-85 -138.57 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -138.29 32.89 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.97 148.2 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -82.41 -52.38 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.3 m -59.75 -48.19 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.57 -58.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.419 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 10.6 tmm? -59.82 -31.14 69.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.77 -46.56 78.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -57.56 -30.9 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.417 HG13 ' CE2' ' A' ' 91' ' ' PHE . 33.3 mm -64.93 -51.65 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -56.61 -42.87 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -42.9 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.5 m -67.17 -23.61 65.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.45 -48.15 10.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.137 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -56.19 -28.7 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.143 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -71.93 -31.14 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.412 HG23 ' CE2' ' A' ' 111' ' ' TYR . 22.4 mt -77.77 -34.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.5 mt -72.53 -51.44 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -60.49 -31.36 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -31.64 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' HG23 ' A' ' 107' ' ' ILE . 3.9 m-85 -104.79 8.94 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.372 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.798 0.333 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -28.78 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -85.7 -40.93 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.19 -30.46 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 22.1 m-85 -95.95 -29.3 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -162.29 142.8 10.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.51 146.3 11.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -61.82 108.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.02 129.57 50.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.36 102.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.93 140.09 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 62.03 32.56 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt 62.94 30.49 16.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.81 136.53 60.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -73.98 121.09 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.88 170.86 36.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -108.87 138.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.04 143.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.72 121.87 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.436 HD13 HG21 ' A' ' 18' ' ' ILE . 28.0 mt -93.05 134.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -110.73 120.68 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.23 29.69 4.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.12 -31.68 30.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.765 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.35 148.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.18 -65.11 0.83 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.491 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 17.9 Cg_endo -59.2 -17.45 39.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.503 2.135 . . . . 0.0 112.582 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.69 171.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -160.15 148.16 16.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tt -112.36 118.02 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.615 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -97.79 146.61 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -140.82 108.68 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -109.32 135.64 50.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 143.35 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 p -58.98 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.0 31.13 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.39 -160.93 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -132.9 31.09 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.05 118.81 32.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.83 129.39 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -121.41 150.62 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -126.29 127.92 46.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 p -132.68 114.6 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.09 130.15 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.62 -23.08 60.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -41.24 83.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.128 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -55.22 -24.12 25.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.214 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mp -82.43 129.6 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -107.4 -34.14 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -130.1 154.42 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.553 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.8 mt -109.82 152.92 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 155.2 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.7 167.2 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.407 HG22 ' CE1' ' B' ' 462' ' ' PHE . 71.9 p -86.05 153.14 56.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.35 155.96 65.76 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.529 2.152 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.83 -30.06 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -66.43 -30.84 71.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -59.42 133.42 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.57 -31.62 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.16 117.73 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.2 ttp -94.06 113.41 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.3 mtm -151.49 157.51 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -124.41 154.9 39.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.76 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HG2' ' CD1' ' B' ' 462' ' ' PHE . 3.0 ptt180 -145.82 152.12 39.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.106 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.56 142.54 46.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.8 mm -102.6 119.33 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.04 -172.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -132.65 111.92 11.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -101.81 131.98 47.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.43 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -124.29 149.99 45.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 60' ' ' LEU . 7.0 p90 -145.37 146.52 31.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.02 161.38 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.422 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -154.89 157.84 38.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.778 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -131.44 34.33 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -150.01 110.74 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -39.55 90.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -71.75 -40.07 69.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.422 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 25.2 t -74.65 -32.44 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.43 -33.93 71.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -85.4 -30.41 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.11 -29.41 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.07 -50.78 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -64.91 -44.48 89.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -31.67 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.6 m -82.82 -32.94 27.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -39.29 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.25 -30.3 68.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.15 -35.99 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.3 mt -71.02 -37.97 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.6 mt -74.82 -44.83 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.3 t -59.51 -40.05 85.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.44 -45.23 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 3.2 m-85 -90.48 8.85 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.362 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.731 0.3 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.68 -28.79 33.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.28 -38.39 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.1 tt -58.11 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 88' ' ' MET . 26.6 m-85 -93.59 -31.11 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 m80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.5 p -176.28 161.5 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.21 150.46 16.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 106.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.89 131.2 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.071 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mt -111.21 103.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 8.5 t80 -107.12 139.88 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 61.96 32.06 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt 62.24 37.35 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.49 129.08 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.033 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 m -74.02 116.85 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.13 171.07 35.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.6 mm -106.67 139.45 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.403 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 1.1 tt -101.05 144.45 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.73 114.45 11.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.5 mt -89.38 134.91 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.13 108.38 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.83 25.97 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.8 -30.07 13.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.733 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.42 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.95 147.51 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -43.78 -68.75 0.26 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.952 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 52.1 Cg_endo -68.45 81.05 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.189 1.926 . . . . 0.0 111.494 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.66 130.39 4.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.706 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -121.69 147.67 45.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.8 tt -114.1 120.55 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.681 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.8 m -103.52 150.17 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.9 t90 -142.51 119.56 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 142.3 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 p -59.05 143.92 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -58.63 -43.44 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -154.08 31.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -106.36 -134.16 7.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.26 31.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.68 119.0 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 p -131.71 123.81 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.7 t60 -123.7 146.6 48.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.414 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 5.9 m -124.37 137.03 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -130.62 134.62 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 p -73.87 135.56 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -80.62 -27.46 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.015 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -28.3 61.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -73.7 -28.65 61.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.51 150.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.91 -49.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -129.97 140.28 50.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.33 124.62 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -123.76 157.37 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.36 167.22 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 p -82.71 154.62 68.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.29 161.54 44.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.517 2.145 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.22 -28.06 47.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -66.32 -31.31 72.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -78.08 156.68 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -98.44 28.86 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HD2' ' CH2' ' B' ' 458' ' ' TRP . 13.1 mtmt -130.4 79.16 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -71.7 113.26 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -150.11 165.7 32.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.15 134.57 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -125.31 152.16 45.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.81 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.3 mt -114.97 142.62 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.131 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.48 99.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.8 169.15 12.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -151.1 95.02 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -108.46 116.54 32.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.447 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.2 ppp? -99.19 135.09 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 94.8 m-85 -119.89 145.43 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.83 143.77 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -128.02 170.91 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -143.04 30.75 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -166.78 141.7 4.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -49.7 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 m -59.96 -33.05 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.2 t -79.98 -41.07 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.0 ttp -61.38 -30.61 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.17 -38.69 60.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.33 -41.55 97.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.0 -53.39 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -57.48 -48.59 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.028 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 ttp -60.19 -44.49 95.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.0 m -70.17 -27.26 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.34 -29.97 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -77.32 -29.73 53.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.43 -29.91 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 mt -76.42 -32.11 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.8 mt -82.37 -31.11 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 -30.88 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.45 ' NE ' ' CE1' ' A' ' 111' ' ' TYR . 4.7 ptm180 -68.24 -27.35 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.45 ' CE1' ' NE ' ' A' ' 110' ' ' ARG . 28.5 m-85 -100.02 11.2 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.4 mttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.686 0.279 . . . . 0.0 111.218 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -90.01 -20.15 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.198 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.64 -26.36 14.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.311 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . 0.449 HG13 ' CD1' ' B' ' 462' ' ' PHE . 20.5 pt -54.29 -27.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.381 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CD1' HG13 ' B' ' 461' ' ' ILE . 84.8 m-85 -89.18 -33.24 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.867 0.365 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -171.15 157.67 5.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.1 157.77 30.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -61.81 116.35 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HB1' ' CZ ' ' A' ' 91' ' ' PHE . . . -139.72 131.18 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.007 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mp -94.41 136.78 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.458 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 4.5 t80 -127.82 103.28 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.432 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' HG3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 65.45 71.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.469 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER 42.47 31.67 0.3 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.738 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -125.44 122.17 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -80.1 119.09 22.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.1 169.98 32.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 mm -106.0 134.93 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 tt -100.97 146.88 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.78 120.3 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 HD13 HG23 ' A' ' 18' ' ' ILE . 28.8 mt -95.88 134.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -100.59 115.21 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.88 29.1 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -94.28 -31.46 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -102.57 148.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -49.83 -65.41 0.86 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.624 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 17.9 Cg_endo -59.5 -16.92 38.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.717 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 61.98 165.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -151.1 143.42 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tt -117.05 110.08 17.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.628 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -97.79 149.66 22.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 69.8 t90 -136.94 107.95 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -106.48 130.88 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 147.83 31.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -83.32 -30.8 27.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -150.47 78.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.63 -127.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -166.85 36.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.37 125.78 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.38 142.69 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -142.92 146.87 34.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -127.87 134.85 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.97 145.96 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.0 t -78.34 130.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.79 -28.56 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 t -59.46 -29.37 67.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -69.75 -23.29 63.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mm -56.13 150.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 38.6 t0 -119.35 -48.99 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -130.02 158.75 38.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mp -124.57 137.33 54.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.765 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.16 156.91 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.98 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.6 p -59.8 154.02 49.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 160.68 48.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.574 2.182 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.5 m -66.47 -31.42 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -64.51 138.26 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.67 -39.0 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.61 98.74 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -76.61 126.22 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.2 mtm -147.76 141.51 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.62 124.42 51.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -126.01 128.33 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -124.73 143.27 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.966 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.422 ' CD1' ' N ' ' A' ' 63' ' ' ILE . 2.3 mp -110.02 140.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.825 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.28 -178.49 49.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.635 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -117.31 109.04 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -101.75 127.84 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.431 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.8 ptm -120.26 120.2 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 46.1 m-85 -111.51 129.7 55.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.07 158.09 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CG ' ' HG2' ' A' ' 97' ' ' MET . 49.9 m-85 -149.36 170.92 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -131.9 33.97 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -171.55 143.45 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -82.7 -42.74 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.13 -45.16 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' MET . . . . . 0.416 ' HG2' ' CG ' ' A' ' 91' ' ' PHE . 1.1 mtm -59.55 -31.32 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.84 -38.77 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -67.32 -31.11 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mm -76.11 -50.92 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -60.18 -45.14 94.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 19.2 ptp -59.76 -31.36 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.4 m -81.81 -28.54 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mp -80.48 -27.67 37.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -83.27 -39.65 20.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.072 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -58.74 -41.26 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.79 -37.58 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.098 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.2 mt -74.45 -52.11 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 m -58.26 -31.41 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -71.85 -31.06 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 23' ' ' SER . 14.0 m-85 -107.32 10.02 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.327 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mttt . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.332 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.66 -19.66 44.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.377 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -99.68 -27.85 13.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.742 0.306 . . . . 0.0 111.245 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.4 tt -70.47 -29.57 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.398 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.4 m-85 -99.49 -57.97 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.5 m80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -175.6 146.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.5 166.72 39.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 136.76 58.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.77 123.29 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.2 112.97 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -114.88 136.2 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 61.71 35.75 16.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.34 31.3 17.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -129.7 139.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.66 128.59 33.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.1 166.84 37.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.55 137.16 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.06 151.12 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.77 126.27 17.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 HG21 HD13 ' A' ' 18' ' ' ILE . 27.3 mt -97.94 134.71 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -116.05 115.29 25.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -100.66 30.58 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -82.78 -35.8 26.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.428 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 7.4 p -106.64 151.81 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.519 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.96 -58.57 9.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -179.245 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 21.5 Cg_exo -65.21 -13.13 38.13 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.343 2.029 . . . . 0.0 112.625 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 64.8 173.9 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.733 0.301 . . . . 0.0 110.782 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' CG ' ' CG2' ' A' ' 39' ' ' THR . 0.2 OUTLIER -157.72 131.98 8.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.212 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -111.46 111.91 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.403 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.77 140.15 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -130.47 107.47 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.653 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.34 131.54 54.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.98 143.23 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.7 m -63.19 -46.22 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -149.66 77.98 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.54 -118.3 0.44 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.81 36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -126.28 124.25 39.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -148.73 137.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 39' ' ' THR . 31.0 t60 -142.75 150.63 40.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 17.6 m -113.35 146.2 39.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -142.15 115.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 t -59.72 127.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.6 mt -80.56 -0.16 36.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.637 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -43.34 30.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.741 0.305 . . . . 0.0 111.125 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 t -55.35 -29.27 58.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.148 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.06 123.17 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.19 -28.31 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -130.02 157.1 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -118.61 149.04 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.29 121.7 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.18 161.89 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.37 142.4 24.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.783 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 148.91 66.52 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.468 2.112 . . . . 0.0 112.314 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -26.9 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -28.75 68.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.6 157.33 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -42.87 95.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -126.51 134.29 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -95.94 123.1 39.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.0 mtm -150.78 148.72 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.5 tp -111.22 141.18 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' B' ' 462' ' ' PHE . 5.3 ttm180 -138.3 142.73 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -118.96 142.51 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 mm -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.95 -174.48 3.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.32 96.57 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -109.71 137.09 48.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.425 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -123.68 149.98 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -128.76 143.11 50.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.795 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.72 146.18 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -139.19 170.92 15.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -143.7 33.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -158.86 113.77 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -61.73 -35.02 76.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -74.13 -40.9 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.2 t -74.91 -38.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 18.8 ttp -60.59 -31.26 70.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.63 -31.24 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.15 -43.36 95.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.87 -55.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -31.47 70.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.7 ttm -76.64 -43.89 36.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.9 m -66.07 -42.94 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.85 -41.55 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -30.38 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -35.03 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.417 HG21 ' CZ ' ' A' ' 111' ' ' TYR . 16.8 mt -70.89 -40.77 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.7 mt -74.74 -31.17 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 t -79.94 -31.05 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -65.15 -31.11 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 107' ' ' ILE . 4.5 m-85 -95.41 9.08 41.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.403 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.41 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.63 -29.11 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.93 -39.27 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.5 tt -58.4 -31.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 88' ' ' MET . 23.2 m-85 -95.74 -43.39 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . 0.415 ' CG ' HG23 ' A' ' 103' ' ' THR . 97.4 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.07 155.86 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.96 144.69 9.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.646 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.11 99.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.94 138.0 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.011 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.401 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 3.0 mp -102.22 121.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.196 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 7.4 t80 -124.83 134.64 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 62.22 33.62 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.18 30.72 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -125.05 132.05 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.7 m -81.53 108.07 14.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.61 172.48 24.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -107.11 134.95 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.09 140.52 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.87 123.27 25.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 18' ' ' ILE . 30.6 mt -95.85 135.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -118.46 121.61 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -102.46 27.52 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -83.3 -40.13 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.425 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 14.4 p -87.44 146.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.16 -66.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.541 -179.42 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 34.4 Cg_endo -63.98 -8.72 16.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.623 2.215 . . . . 0.0 113.036 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.28 164.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.744 0.307 . . . . 0.0 111.009 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -154.96 154.19 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.2 tt -123.13 115.62 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.503 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -97.85 150.68 21.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -139.74 109.74 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 p -60.0 142.77 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 m -72.32 -69.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.89 30.86 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -133.65 -153.57 7.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.79 25.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -102.03 130.03 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -148.79 141.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.22 150.61 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.12 141.18 44.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 p -141.89 124.45 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.71 129.29 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.8 mt -80.62 -0.83 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.607 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -78.3 -31.0 48.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 t -60.33 -34.4 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mp -65.56 118.12 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.39 -24.64 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 171.39 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.3 mt -143.52 112.89 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.803 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.88 136.69 54.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.28 167.22 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.7 p -87.1 154.64 54.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.72 153.55 77.67 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.574 2.182 . . . . 0.0 112.263 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.17 67.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -66.31 -30.48 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -76.67 129.08 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.69 -31.75 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.73 79.38 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -83.74 113.38 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -145.22 150.97 37.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.75 143.66 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HD2' ' CG ' ' B' ' 462' ' ' PHE . 14.4 ttt180 -128.58 111.88 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.08 141.48 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 mm -113.26 106.17 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.983 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.23 -167.34 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -144.22 104.17 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -106.98 147.47 29.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.433 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 2.7 ppp? -129.96 150.05 51.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 3.9 m-85 -133.45 146.14 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.03 146.57 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -152.37 141.55 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -111.54 -38.09 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.6 m -60.53 -40.82 92.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.95 -42.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.8 ttp -60.54 -35.56 76.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.27 -31.32 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -68.89 -26.9 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mm -73.23 -51.73 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -63.99 -47.94 78.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.415 HG23 ' CG ' ' A' ' 3' ' ' HIS . 92.0 m -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -30.14 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.822 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.13 -30.71 66.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -73.53 -28.26 61.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.412 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 12.9 mt -73.52 -27.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.2 mt -82.65 -28.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -78.6 -32.0 47.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.434 ' CD ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 ptm180 -65.22 -28.32 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.066 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.434 ' CE1' ' CD ' ' A' ' 110' ' ' ARG . 11.1 m-85 -89.76 9.57 26.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.426 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.52 -33.37 75.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -79.63 -2.98 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . 0.416 ' CD1' ' CE3' ' B' ' 458' ' ' TRP . 50.0 mt -100.07 -28.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.711 0.291 . . . . 0.0 111.345 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.8 m-85 -109.72 12.04 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.75 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.612 0.244 . . . . 0.0 111.37 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.83 0.347 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -175.27 155.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.79 163.05 35.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.89 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.84 126.13 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.404 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 3.2 mp -103.5 132.64 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -132.3 126.2 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 59.3 44.22 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.77 34.47 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -124.74 130.51 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.035 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -84.39 109.67 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.12 167.49 27.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -105.59 138.41 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.02 145.38 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 114.73 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.441 HD11 HG21 ' A' ' 18' ' ' ILE . 27.3 mt -89.22 134.24 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -116.89 97.56 6.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -97.48 34.16 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -102.41 -35.22 8.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 p -55.67 -60.01 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.1 t 166.71 -68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.344 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 89.2 Cg_endo -76.42 -10.4 18.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.362 2.041 . . . . 0.0 112.1 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.79 121.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -121.73 159.62 26.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.408 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.8 tt -114.95 117.64 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -104.64 143.92 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' A' ' 38' ' ' HIS . 70.2 t90 -134.07 119.73 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.751 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.73 136.76 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -59.09 152.6 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -59.31 -31.95 69.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.6 -42.25 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.25 59.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.21 -54.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 118.81 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.25 137.06 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.411 ' CE1' ' CE3' ' A' ' 29' ' ' TRP . 7.6 p-80 -137.06 150.57 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -117.71 126.59 52.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.34 139.74 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.96 136.23 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -80.51 -28.87 37.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 t -56.55 -29.83 62.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -65.63 -30.29 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.34 154.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -122.39 -47.52 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -130.08 161.09 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.3 127.01 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -137.04 146.1 44.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.16 167.19 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.7 p -72.51 153.95 91.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 165.49 30.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.64 64.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -66.33 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 131.32 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.22 -56.36 22.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.0 118.61 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -94.93 113.37 25.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.403 ' HE2' ' CH2' ' B' ' 458' ' ' TRP . 45.8 mtm -150.31 165.73 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 tt -135.4 165.42 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -144.97 129.1 17.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -106.65 133.03 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.8 mm -110.62 137.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.99 -178.82 34.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.13 116.6 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -105.84 145.8 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.4 ptm -116.73 149.57 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -141.35 149.44 41.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.69 146.64 30.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -141.24 141.81 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -106.73 32.32 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -170.44 111.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -60.92 -31.63 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.6 m -65.79 -34.0 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.9 t -78.02 -40.96 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 ttp -59.92 -31.48 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.11 -31.86 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.5 -39.6 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.8 mm -72.95 -54.83 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.77 -46.85 83.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.69 -43.96 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.6 m -69.56 -37.4 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -42.11 75.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -57.09 -29.72 63.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.042 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -73.84 -30.63 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.6 mt -78.91 -32.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mt -82.61 -31.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -76.61 -40.19 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -30.25 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.78 -11.92 40.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.339 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.87 -35.96 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -41.75 70.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.4 tt -58.62 -28.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 30.7 m-85 -101.2 -30.92 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.809 0.338 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 p -172.09 162.44 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.1 144.07 8.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.581 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -63.31 104.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.85 141.51 50.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mp -107.54 129.01 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.487 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 3.1 t80 -133.55 130.66 38.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.779 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 64.01 36.47 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.45 35.07 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -132.57 130.25 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.015 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 m -82.44 126.71 32.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.749 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.37 173.44 34.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.615 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.2 mm -105.56 132.19 53.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -101.05 151.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.74 122.36 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.17 132.27 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -109.22 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -102.57 27.96 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -89.61 -29.71 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 25' ' ' ALA . 10.5 m -92.02 -178.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.22 -60.61 2.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 60.2 Cg_endo -72.72 -32.05 9.83 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.567 2.178 . . . . 0.0 112.694 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 22' ' ' VAL . . . 62.97 143.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -138.6 163.84 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 0.0 111.442 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.04 120.2 41.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.624 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.82 131.56 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -130.8 109.6 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.52 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 m -58.9 142.82 49.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.1 t -59.48 -46.7 88.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -123.95 -40.26 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.1 -172.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.642 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -120.15 29.33 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -107.96 148.89 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 p -148.68 145.3 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.23 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -126.55 136.84 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.94 111.16 13.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.765 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.61 135.09 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.3 t -74.19 135.77 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -80.65 -31.19 36.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.058 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 t -57.46 -30.08 64.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -71.81 -24.24 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.216 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.9 mm -56.51 151.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.92 -44.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -130.06 171.35 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mp -135.81 123.55 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.721 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.22 159.51 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.96 167.29 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -67.51 154.17 93.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.2 157.93 59.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.562 2.175 . . . . 0.0 112.256 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.45 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -31.56 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -64.91 127.98 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.26 -39.07 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 111.39 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.2 122.29 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.403 ' HE3' ' CZ3' ' B' ' 458' ' ' TRP . 0.5 OUTLIER -142.78 165.75 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 91' ' ' PHE . 8.2 mt -124.38 146.98 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.1 OUTLIER -135.92 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 2.9 mt -123.92 142.51 51.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.8 mm -106.54 140.51 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.2 161.17 22.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.63 129.87 56.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 62' ' ' LEU . 3.3 p80 -124.02 135.79 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.32 47.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.024 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 14.0 m-85 -128.03 153.21 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.21 157.8 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 60' ' ' LEU . 4.9 m-85 -156.23 135.08 11.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -108.96 33.02 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -156.29 133.02 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -31.61 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -72.7 -43.63 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.9 t -63.14 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.7 mtp -60.26 -35.43 75.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.34 -31.55 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.85 -44.64 54.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.69 -56.58 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -59.18 -49.21 78.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.7 ttm -58.01 -41.1 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -73.09 -28.1 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -47.18 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -56.1 -28.82 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -76.0 -43.28 45.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.408 HG23 ' CE2' ' A' ' 111' ' ' TYR . 13.9 mt -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.4 mt -82.62 -30.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -81.34 -30.78 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . 0.419 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 4.7 ptm85 -71.94 -35.45 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 110' ' ' ARG . 20.5 m-85 -89.8 -11.95 40.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.433 ' HB3' ' CE2' ' B' ' 462' ' ' PHE . 18.9 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.677 0.275 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.64 -33.05 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.76 -56.06 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . 0.46 HD12 HG23 ' B' ' 461' ' ' ILE . 9.9 tt -58.35 -29.08 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' B' ' 458' ' ' TRP . 20.5 m-85 -88.9 -30.51 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.066 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.8 p -156.41 167.57 30.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.61 142.32 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 130.06 44.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.43 115.43 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mp -100.0 119.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -102.95 114.03 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.293 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.81 -45.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.463 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -179.19 -32.38 0.01 OUTLIER 'General case' 0 C--O 1.231 0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.46 125.48 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 111.181 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -88.2 109.42 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.856 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.37 169.08 24.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.557 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mm -105.51 131.75 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -100.98 142.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 124.13 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.477 HG23 HD11 ' A' ' 18' ' ' ILE . 29.0 mt -89.14 134.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.71 119.97 39.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.11 26.86 7.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.54 -32.57 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.0 p -99.63 147.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.3 m -49.76 -65.86 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.682 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 22.0 Cg_endo -60.78 -15.4 37.54 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.872 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.61 157.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -149.44 164.22 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.218 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.04 119.2 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -97.77 134.17 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -133.19 109.63 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -112.98 135.03 54.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 140.12 57.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.3 p -60.23 -61.96 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -122.45 94.1 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.82 -120.68 0.84 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.17 37.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 118.73 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 p -139.6 137.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 39' ' ' THR . 15.2 t60 -134.81 150.57 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.404 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 1.4 m -118.06 141.18 48.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.83 122.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.67 132.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -80.46 -26.62 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -36.59 71.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -59.25 -29.41 67.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.42 153.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -123.13 -52.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -130.03 156.87 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 mt -120.05 142.26 49.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.64 160.4 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.78 167.26 30.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.0 p -69.75 149.39 96.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.79 165.56 32.18 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.554 2.17 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.49 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -66.38 -29.63 69.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -59.19 129.99 44.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.29 -32.98 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 125.36 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -81.86 125.94 31.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.449 ' CE ' ' CZ2' ' B' ' 458' ' ' TRP . 44.2 mtm -151.5 165.79 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.79 142.53 50.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 22.1 ttt180 -125.35 117.48 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.57 142.54 29.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.799 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.2 mm -117.56 140.54 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.64 -163.01 35.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.951 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.763 0.316 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -170.22 103.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -116.88 119.42 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . 0.427 ' HE1' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -117.73 149.99 39.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -131.19 164.3 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.8 m -99.72 136.3 39.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' PHE . . . . . 0.412 ' CE2' HG13 ' A' ' 100' ' ' ILE . 8.1 m-85 -128.91 137.87 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -107.08 33.67 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -163.15 134.02 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.67 -31.26 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -76.16 -31.77 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.24 -49.12 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.3 ptm -60.19 -31.48 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -31.56 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -74.77 -25.06 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.412 HG13 ' CE2' ' A' ' 91' ' ' PHE . 31.6 mm -72.77 -52.0 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -63.59 -48.33 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.3 -35.61 74.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.0 m -84.39 -27.83 27.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.07 -30.01 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.79 -30.67 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -71.37 -28.46 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.453 ' CG2' ' CE2' ' A' ' 111' ' ' TYR . 13.9 mt -71.04 -58.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.8 mt -59.41 -30.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 m -64.14 -25.67 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -88.08 -27.28 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 7.2 m-30 -89.8 -11.87 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.486 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 458' ' ' TRP . . . . . 0.449 ' CZ2' ' CE ' ' A' ' 59' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.738 0.304 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.79 -31.03 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 -42.46 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.63 -26.73 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.327 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 462' ' ' PHE . . . . . 0.427 ' CZ ' ' HE1' ' A' ' 88' ' ' MET . 45.8 m-85 -104.44 -29.63 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.198 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.938 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.171 0 CA-C-O 120.887 0.286 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -107.01 123.4 48.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 m80 60.43 87.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -161.27 156.48 24.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.47 150.87 19.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.24 105.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.38 126.15 48.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.003 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 25.2 mt -104.3 111.24 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.422 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 28.8 t80 -109.96 134.99 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 58.12 43.07 21.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.014 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.3 30.06 18.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -118.28 123.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.2 m -73.27 111.24 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.92 172.04 31.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -110.4 139.6 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -101.16 151.07 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.82 117.98 11.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.2 mt -89.5 134.62 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -116.03 105.54 12.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.63 31.4 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.19 -31.12 43.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.434 HG21 ' HD2' ' A' ' 24' ' ' PRO . 3.5 p -111.81 167.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 m -53.01 -67.57 0.55 Allowed Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.653 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 41.4 Cg_endo -67.04 -10.42 28.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.437 2.092 . . . . 0.0 112.809 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 61.35 -172.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.992 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -162.59 131.44 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 tt -109.07 108.83 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -97.72 143.51 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 46.0 t90 -133.33 113.94 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -114.83 138.92 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.0 p -59.11 146.17 39.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.9 t -59.6 -41.56 90.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.61 -58.49 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.61 90.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -176.9 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.41 131.64 56.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -148.67 136.29 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.072 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -129.28 148.93 51.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.91 126.56 41.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 p -138.87 124.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 12.4 p -64.51 140.55 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.7 mt -80.56 -27.89 37.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.28 -33.69 63.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.5 p -61.21 -28.9 69.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.5 mm -61.12 152.65 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.034 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -124.77 -44.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -130.0 161.7 30.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mt -126.41 133.95 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -152.51 141.09 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.99 167.11 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.2 p -73.35 153.93 90.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_endo -69.14 157.54 61.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.279 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.8 70.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -66.33 -30.81 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 t -60.12 125.26 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.18 -31.11 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 97.29 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.84 115.88 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.414 ' CE ' ' CH2' ' B' ' 458' ' ' TRP . 69.0 mtm -151.52 148.73 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.67 161.34 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 0.4 OUTLIER -140.69 139.6 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.2 mt -124.61 132.0 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.6 mm -111.21 128.05 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.89 174.99 55.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -79.81 148.93 31.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -86.0 158.91 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -94.17 88.2 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -93.73 46.57 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 p -128.38 -46.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -104.8 -43.15 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.08 153.59 29.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.794 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.99 133.1 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 54.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.66 -163.12 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.787 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -112.15 -31.56 6.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.679 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -148.6 74.32 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.705 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.73 -28.0 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.402 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 71.78 99.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.976 0.417 . . . . 0.0 111.347 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.27 58.99 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.07 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.5 t -67.4 130.75 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.057 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.454 ' HB ' ' HD3' ' A' ' 82' ' ' PRO . 2.8 t -88.86 -47.97 0.42 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.442 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HD3' ' HB ' ' A' ' 81' ' ' VAL . 97.2 Cg_endo -90.55 -162.04 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.738 2.292 . . . . 0.0 112.172 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.37 148.79 32.59 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.2 157.36 54.02 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.533 2.155 . . . . 0.0 112.327 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -81.79 141.54 33.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -148.73 108.84 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -116.13 137.34 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -123.04 149.96 43.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.77 140.75 51.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.812 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.49 126.56 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.412 ' CD1' ' HG3' ' A' ' 97' ' ' MET . 53.9 m-85 -114.54 170.92 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 31.16 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -173.49 133.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.88 -31.85 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -67.85 -49.82 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.06 -48.93 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.412 ' HG3' ' CD1' ' A' ' 91' ' ' PHE . 8.6 ttp -60.19 -31.24 69.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -76.34 -31.11 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.51 -30.21 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -75.22 -52.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.4 ttmm -59.42 -46.32 89.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.5 ptp -58.22 -34.92 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 89.9 m -75.8 -45.6 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.63 -30.83 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -69.11 -30.64 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -83.3 -34.94 25.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.401 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 9.2 mt -64.91 -46.7 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -37.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.9 t -65.06 -27.93 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -86.57 -28.45 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 23' ' ' SER . 20.3 m-85 -96.08 -11.84 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.515 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -29.3 17.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.759 0.314 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.53 -31.68 16.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.74 -49.83 42.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.893 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 16.7 mt -132.49 11.61 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.31 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.27 -54.28 10.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.98 89.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -29.72 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.0 OUTLIER -58.5 -28.86 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.47 -30.6 47.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.48 -42.67 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 12.1 tt -58.98 -27.64 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.414 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 41.9 m-85 -101.26 -31.35 11.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.49 -59.9 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 53.0 p -99.99 -175.48 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.488 1.188 0 CA-C-O 120.809 0.254 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 p -66.16 145.59 55.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.8 m80 59.99 75.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.8 p -176.37 159.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.52 146.39 8.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.57 95.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 91' ' ' PHE . . . -113.54 127.14 55.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mp -97.26 116.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.416 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 38.3 t80 -118.06 137.55 52.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.86 32.42 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.63 36.73 8.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.2 t -131.33 135.11 60.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -79.33 105.05 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.35 -173.83 13.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -120.0 122.84 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -101.15 124.38 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.56 129.91 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 HD12 HG21 ' A' ' 18' ' ' ILE . 27.8 mt -89.19 134.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -105.29 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -103.45 30.03 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.35 -31.69 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 13.4 p -95.29 146.87 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -50.75 -66.58 0.63 Allowed Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.709 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 19.0 Cg_endo -59.97 -16.55 39.48 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.11 . . . . 0.0 112.695 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 64.05 148.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.65 156.2 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -111.63 148.03 34.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.774 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 m -121.08 141.0 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.416 ' CZ2' ' HB3' ' A' ' 9' ' ' PHE . 34.6 t90 -134.03 112.99 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -117.37 133.27 56.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 t -59.08 141.1 54.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -62.02 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -116.66 81.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.69 -132.86 1.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -162.26 36.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -122.05 118.77 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.7 p -135.43 139.89 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -134.37 150.64 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.84 147.53 49.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -142.12 137.41 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -77.85 134.35 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.1 mt -80.5 -28.32 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -57.02 -40.78 77.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -61.12 -24.86 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.0 mm -66.12 152.48 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 31.1 t0 -120.62 -54.77 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' CD ' ' N ' ' A' ' 48' ' ' LEU . 0.0 OUTLIER -134.52 166.4 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.403 ' N ' ' CD ' ' A' ' 47' ' ' LYS . 0.1 OUTLIER -134.92 148.78 50.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.52 132.09 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -126.53 167.22 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.9 p -84.5 156.14 62.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 165.51 30.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.551 2.167 . . . . 0.0 112.345 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.2 49.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -32.08 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.9 m -79.05 132.11 36.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.18 -43.49 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -67.49 85.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.95 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.412 ' HB2' ' CE1' ' B' ' 462' ' ' PHE . 1.7 mpp? -146.8 165.68 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.6 mt -119.78 140.69 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.773 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.6 ttt180 -128.79 140.12 51.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 13.4 mt -121.9 142.61 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.0 mm -118.3 140.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.37 157.01 17.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.407 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -87.53 117.18 26.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.93 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.2 t -60.98 141.41 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.78 85.85 7.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -55.5 -29.83 59.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -67.16 -30.34 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -76.91 -52.78 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -59.04 167.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -165.41 -174.11 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -116.72 97.73 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -139.65 36.11 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -114.09 -66.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -146.92 36.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.16 62.38 2.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.32 129.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -76.94 113.34 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.12 144.64 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 12.9 p -97.02 136.86 21.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.092 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -78.98 56.01 5.84 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.558 2.172 . . . . 0.0 112.41 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.07 137.87 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -76.87 -168.22 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.523 2.149 . . . . 0.0 112.319 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -114.32 131.49 56.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 35.1 mtt180 -152.33 121.45 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -118.59 155.72 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.432 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 4.3 ppp? -134.6 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.413 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 12.2 m-85 -129.68 164.41 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.1 142.64 35.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 7' ' ' ALA . 28.1 m-85 -140.2 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -144.19 31.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -144.76 115.31 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -68.3 -30.23 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.3 m -83.42 -29.37 28.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.59 -37.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.304 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -57.0 -32.0 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.07 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.29 -29.82 38.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -67.56 -30.08 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.4 mm -74.36 -51.53 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.3 ttmt -59.68 -46.57 88.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.8 ptp -59.09 -29.69 67.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.9 m -80.75 -25.52 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 6.0 mt -84.28 -27.4 27.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -81.01 -30.72 34.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.99 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -72.48 -41.24 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.1 -49.18 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.7 mt -65.55 -46.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.8 p -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -69.43 -37.93 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -89.79 -11.91 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.364 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -72.65 -31.6 65.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.92 -27.37 11.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 57.11 46.98 18.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.2 tp -134.71 11.58 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.336 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -88.66 9.42 24.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.43 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -90.06 -31.25 17.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 457' ' ' SER . . . . . 0.417 ' O ' ' CE2' ' B' ' 460' ' ' TYR . 4.5 p -89.69 -30.21 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.439 ' HB3' ' CE2' ' B' ' 462' ' ' PHE . 9.5 m95 -87.98 -0.05 56.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.459 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.5 53.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . 0.417 ' CE2' ' O ' ' B' ' 457' ' ' SER . 8.0 p90 -100.08 -6.07 26.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 10.0 tt -100.05 -44.82 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 44.6 m-85 -81.57 -57.24 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -60.31 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.04 79.05 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo . . . . . 0 N--CA 1.488 1.149 0 CA-C-O 120.791 0.246 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t 62.97 -79.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -105.41 39.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 p -170.42 161.52 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.69 155.48 26.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.577 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 96.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 111.208 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.57 136.54 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 21.3 mt -114.25 125.63 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -123.83 123.3 40.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.831 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 62.7 49.21 3.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.077 0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt 56.42 33.09 21.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.198 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -119.51 118.17 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 111.062 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -74.96 108.58 7.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.68 179.06 23.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.6 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mm -113.94 137.77 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 1.2 tt -101.13 150.01 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.7 119.48 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.477 HG22 HD11 ' A' ' 18' ' ' ILE . 28.8 mt -89.16 134.54 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -102.19 104.29 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.57 25.54 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -96.86 -30.88 12.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.723 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.414 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 12.3 p -101.99 147.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.639 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -43.26 -68.87 0.24 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.101 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 55.6 Cg_endo -69.2 81.31 0.68 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.269 1.98 . . . . 0.0 111.506 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.66 130.79 4.05 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -121.79 152.29 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 5.9 tt -118.47 115.47 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -98.43 148.01 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 59.7 t90 -139.7 110.34 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -109.29 131.56 54.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -57.92 162.26 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -57.56 -39.91 77.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -91.24 -31.23 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.81 34.68 5.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.06 -37.21 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -130.84 134.04 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.5 p -148.74 129.15 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -129.77 150.54 51.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 144.79 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.11 137.06 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.6 t -74.87 119.27 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.035 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 60.6 mt -67.98 -28.88 67.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.027 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -56.51 -30.42 62.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.6 p -66.0 -29.32 69.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.1 mm -59.98 157.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.022 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -124.59 -54.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -130.06 161.43 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mp -121.97 145.4 48.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -152.44 143.7 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.85 167.15 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.2 p -70.19 149.74 96.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.22 165.43 31.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.628 2.219 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -31.49 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -67.85 -32.38 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.4 t -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.1 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -82.16 106.73 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 19.3 mtm -86.63 113.44 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 24.8 mtm -147.59 152.96 38.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 tp -110.65 159.2 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.415 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.0 OUTLIER -145.8 143.5 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 8.5 mt -124.54 142.5 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.8 mm -123.46 112.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.27 174.27 55.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.541 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -73.12 -170.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -108.46 156.21 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -130.86 79.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -105.58 36.51 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 m -115.38 -38.76 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -57.17 3.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 63.64 126.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.22 124.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 61.61 113.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -103.56 -31.54 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -146.9 -69.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.82 116.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 136.97 9.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 60.76 111.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.13 79.24 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.0 p -74.04 152.59 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 83' ' ' LYS . 21.7 t -96.88 137.57 21.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -40.7 88.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.486 2.791 . . . . 0.0 113.054 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.3 ptmt -124.47 146.75 53.22 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.26 -178.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.519 2.146 . . . . 0.0 112.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -115.56 140.03 49.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -141.18 105.49 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -113.54 130.14 56.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.3 ptm -116.2 139.27 50.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -124.25 163.85 20.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.82 122.85 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.22 170.89 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -127.63 30.96 5.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -172.42 142.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -82.71 -31.6 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -72.04 -43.36 65.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.24 -51.77 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.1 ptm -60.17 -31.14 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.94 -31.48 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -80.06 -24.79 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.0 mm -76.64 -52.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.7 ttmt -62.25 -45.39 93.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.2 -31.43 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.3 m -84.21 -26.46 28.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.73 -29.4 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -74.98 -40.0 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.052 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.67 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 15.4 mt -68.38 -58.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.95 -32.07 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -76.3 -31.49 58.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -72.64 -31.4 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.22 10.88 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -122.35 -43.35 2.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -73.64 -34.61 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -88.76 -70.19 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.905 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.11 11.59 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.339 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -74.36 -29.02 61.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.775 0.321 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -30.74 66.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 1.1 t -82.58 -31.36 29.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -82.97 -29.99 28.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.68 -32.04 59.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -70.81 -45.41 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.9 tt -59.05 -29.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.415 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 39.7 m-85 -102.99 1.8 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.454 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -100.01 2.24 43.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.387 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 8.8 t -59.91 131.67 51.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.815 0.34 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.487 1.145 0 CA-C-O 120.882 0.284 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 60.17 31.06 20.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 78.4 m80 59.88 85.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 p -176.71 131.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.15 139.34 7.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.33 102.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.64 133.43 55.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.04 115.6 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 15.2 t80 -119.23 134.84 54.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 62.53 33.15 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? 64.32 35.34 9.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -127.87 136.6 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 110.57 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.34 168.27 29.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mm -105.58 134.66 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 111.061 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.402 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.09 151.11 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.68 129.02 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 18' ' ' ILE . 30.0 mt -98.97 135.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -102.77 97.55 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -84.6 -23.95 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -53.53 -30.96 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' CG1' ' HA ' ' A' ' 25' ' ' ALA . 11.2 p -90.84 146.81 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -57.81 -65.83 1.63 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.656 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 20.6 Cg_endo -60.99 -15.36 38.51 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.801 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' HA ' ' CG1' ' A' ' 22' ' ' VAL . . . 62.87 150.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -144.82 146.98 32.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.402 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.5 tt -116.22 107.96 15.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -98.02 136.76 37.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.422 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 50.2 t90 -128.39 117.53 21.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 137.28 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 t -59.01 157.79 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -58.93 -31.42 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -96.09 -44.24 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.21 46.79 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.62 -42.32 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -127.14 125.23 40.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.6 p -139.39 137.38 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 39' ' ' THR . 12.7 t60 -144.0 150.64 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 3.5 m -127.14 146.09 50.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.05 146.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -73.89 128.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.9 mt -80.62 -29.83 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -58.52 -39.66 80.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 13.3 t -59.23 -27.39 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.57 151.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -124.92 -50.26 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -130.1 132.91 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.571 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.0 pp -120.84 136.24 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.0 164.2 21.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.73 167.18 29.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.5 p -87.42 150.77 49.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.42 164.47 35.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.579 2.186 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.45 68.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -66.39 -31.3 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.3 t -60.18 127.29 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.11 -31.16 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 117.79 34.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -90.93 118.86 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mtm -145.42 164.83 30.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 tt -132.18 160.23 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.434 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -142.74 142.5 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.2 mt -124.68 142.38 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.9 mm -117.45 111.11 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.67 -174.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.589 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -101.4 134.65 44.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.1 m -104.89 148.19 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.49 91.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -132.64 -74.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.7 30.95 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.784 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -158.77 -45.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.36 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.422 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -86.04 102.89 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.041 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.4 mttt 64.18 130.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -97.35 31.04 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 58.71 106.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 59.44 91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.91 -19.5 1.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.689 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 65.92 103.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -157.23 69.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -65.12 152.96 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.6 p -54.54 137.13 62.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 83' ' ' LYS . 85.7 Cg_endo -78.03 55.31 5.26 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.515 2.143 . . . . 0.0 112.646 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 82' ' ' PRO . 0.0 OUTLIER 52.67 157.02 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.781 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -77.19 -168.09 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.531 2.154 . . . . 0.0 112.33 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -140.02 130.02 24.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -150.03 117.96 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -120.15 140.13 51.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.3 ptm -121.06 122.4 40.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 17.7 m-85 -110.5 164.46 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.51 157.37 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -145.54 147.71 32.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.15 -31.66 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.53 145.11 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.1 m -60.09 -47.82 84.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.91 -41.26 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -60.29 -32.68 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -75.5 -31.73 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.65 -39.96 94.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.6 mm -68.72 -55.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -58.17 -49.16 77.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.5 -52.35 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 87.6 m -61.11 -40.73 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.94 -46.38 89.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.46 -30.67 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -76.6 -42.26 43.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 6.5 mt -62.39 -39.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.1 mt -72.68 -36.9 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.035 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -67.85 -31.97 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.14 -41.19 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -93.52 9.78 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -46.59 54.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.2 -75.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.46 66.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.4 tp -135.02 11.61 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.361 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.28 -30.39 54.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.868 0.365 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -59.47 -43.0 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 8.4 m -79.75 -36.28 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -73.4 -25.69 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.08 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.89 -27.69 36.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.058 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -39.77 20.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.124 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 9.5 tt -56.69 -28.65 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.374 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 48.9 m-85 -102.18 -29.01 11.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.11 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.3 -27.8 56.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.91 148.35 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.065 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.173 0 CA-C-O 120.808 0.253 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 p -128.4 78.76 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.414 ' CD2' HG21 ' A' ' 103' ' ' THR . 1.8 m80 60.15 96.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -177.21 140.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.62 146.4 13.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.04 118.17 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.054 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' HB1' ' CE2' ' A' ' 91' ' ' PHE . . . -134.23 134.64 42.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.409 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 3.1 mp -102.16 129.9 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 89' ' ' PHE . 10.9 t80 -130.46 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 61.0 43.9 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 60.09 35.47 21.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.4 t -127.12 132.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.6 p -86.15 119.01 25.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.82 172.33 33.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.6 135.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.0 129.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.9 124.27 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.443 HD11 HG21 ' A' ' 18' ' ' ILE . 22.8 mt -89.82 136.75 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -103.34 109.44 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.47 -25.06 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.39 -30.97 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.892 0.377 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.435 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 12.4 p -97.83 145.62 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.76 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER -58.24 -67.54 0.91 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.496 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 86.0 Cg_exo -43.91 -28.89 2.29 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.336 2.024 . . . . 0.0 112.579 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.52 121.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.744 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.74 146.24 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -108.49 111.03 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.436 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.72 148.9 22.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.182 -179.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.6 t90 -139.75 107.54 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.574 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 132.52 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.3 p -59.42 156.3 13.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 41.3 p -57.7 -38.9 76.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -30.86 45.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 39.15 5.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.6 -32.22 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -125.64 126.31 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 p -148.75 143.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -145.1 150.61 37.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.7 m -117.96 145.19 44.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.3 p -142.15 123.75 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.06 119.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 33.9 mt -64.02 -28.95 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 p -66.65 -27.17 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.984 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 35.3 mm -57.89 154.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.052 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -115.63 -54.83 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -139.77 171.3 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.9 mp -125.36 140.76 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -152.6 139.43 18.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.014 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -142.49 167.22 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.2 p -79.18 154.24 77.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 151.58 68.08 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.534 2.156 . . . . 0.0 112.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -28.78 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 m -66.36 -30.2 70.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -59.23 150.44 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.19 -47.63 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 127.38 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.7 mtm -96.97 113.75 25.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 77.5 mtm -151.41 165.69 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 tt -135.31 140.38 45.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.442 ' HB2' ' CG ' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -116.98 112.0 20.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.73 142.53 27.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.958 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' CG1' ' HG3' ' A' ' 47' ' ' LYS . 30.5 mm -111.46 140.54 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.37 163.32 16.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -74.58 166.88 22.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.5 t -83.67 158.63 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -158.35 104.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -101.39 37.46 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.5 p -127.76 36.79 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -147.32 -46.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.19 -173.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 150.44 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 tttp 61.56 110.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.1 -62.48 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -133.62 -65.19 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -163.78 86.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.71 68.45 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -174.34 112.61 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -77.58 102.28 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 t -100.07 137.93 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 23.6 t -122.7 136.65 26.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.024 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.03 62.46 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.533 2.156 . . . . 0.0 112.281 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.08 157.75 35.09 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.27 129.84 34.82 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.539 2.159 . . . . 0.0 112.177 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -57.58 176.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.014 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -165.99 101.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -121.13 129.12 53.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.419 ' HE2' ' CZ ' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -112.93 149.87 32.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 9' ' ' PHE . 88.0 m-85 -122.6 162.57 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -106.66 153.09 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.4 ' CE2' ' HB1' ' A' ' 7' ' ' ALA . 55.9 m-85 -150.45 169.06 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -137.23 31.4 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -154.01 141.26 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -31.27 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.2 m -80.17 -45.96 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.4 t -62.59 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.81 -31.57 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.6 -31.92 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.62 -41.73 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 28.2 mm -68.77 -54.65 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -58.85 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.3 ttp -58.82 -43.87 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.414 HG21 ' CD2' ' A' ' 3' ' ' HIS . 87.1 m -71.47 -28.25 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.94 -29.33 49.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.894 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -72.03 -30.34 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -73.93 -28.7 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.419 ' N ' ' HG3' ' A' ' 106' ' ' GLN . 13.6 mt -72.85 -39.98 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.7 mt -75.32 -37.44 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -65.27 -31.34 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -74.71 -31.91 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -101.06 10.3 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.322 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -78.49 -43.91 25.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.99 10.75 30.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.324 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 55.34 35.82 25.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.858 0.361 . . . . 0.0 111.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.909 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.76 -30.98 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -59.43 -39.03 82.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.24 -51.71 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 29.1 p -73.34 -29.56 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.413 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -57.96 -27.35 63.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.44 -28.76 46.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -86.74 -42.29 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.09 -29.04 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.295 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.442 ' CG ' ' HB2' ' A' ' 61' ' ' ARG . 37.2 m-85 -105.64 12.3 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.393 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -54.38 3.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 2.1 m -59.48 145.8 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 N--CA 1.488 1.19 0 CA-C-O 120.788 0.245 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -110.44 -73.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -106.76 39.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.9 p -165.26 148.35 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.05 143.15 9.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.49 100.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.04 137.24 51.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 3.1 mp -98.53 137.37 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.412 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 13.0 t80 -135.83 116.69 14.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.96 51.73 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.67 30.19 18.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.158 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.3 t -121.54 127.63 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.01 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.2 108.82 17.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.4 169.73 25.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 mm -108.23 135.24 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -101.05 144.87 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 119.68 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.8 mt -89.37 136.13 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -106.37 110.82 23.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.48 29.13 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.31 -32.19 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -104.35 148.39 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.84 -64.97 0.9 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.455 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 18.0 Cg_endo -59.22 -17.74 40.86 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.585 2.19 . . . . 0.0 112.581 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 62.52 169.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.978 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -156.66 146.08 20.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.7 tt -113.63 112.61 23.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.628 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -97.78 147.97 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.412 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 56.4 t90 -137.77 107.58 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -106.13 125.53 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -57.68 160.87 4.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -58.15 -32.12 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -96.85 -38.97 9.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.95 45.5 1.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.7 -40.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -119.27 121.22 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -147.39 139.31 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -144.24 150.64 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.27 108.97 17.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.52 129.8 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 32.7 t -75.46 120.04 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.013 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.3 mt -55.87 -25.46 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.23 -31.6 63.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.5 t -65.51 -27.89 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.011 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.26 152.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -124.89 -51.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CG ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.06 171.41 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mt -128.04 125.01 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -143.0 136.01 28.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -133.27 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.1 p -72.42 153.42 91.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 152.32 68.81 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.98 -28.88 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -58.7 135.38 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.09 -37.88 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 137.64 41.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -101.88 125.52 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.2 mtm -150.72 165.67 32.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.8 mt -127.84 153.35 46.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.427 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.3 ttt180 -138.1 143.8 40.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.9 mt -124.62 140.21 53.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.404 ' CG1' ' CG ' ' A' ' 47' ' ' LYS . 42.4 mm -105.28 123.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 170.28 18.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -95.62 159.55 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 m -102.87 179.75 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -150.46 116.31 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -122.81 54.49 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -114.38 -54.22 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.6 mttt -94.38 -71.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 59.96 -169.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 63.55 124.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.64 88.47 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.14 158.86 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.024 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -66.93 -14.6 62.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.365 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -51.78 -29.52 19.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.56 78.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.534 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 p30 44.07 101.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.055 0.455 . . . . 0.0 111.795 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -117.87 52.4 1.0 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.843 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.0 t -69.28 161.99 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.055 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.48 ' HB ' ' CD ' ' A' ' 82' ' ' PRO . 31.0 t -147.17 -64.59 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.352 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.48 ' CD ' ' HB ' ' A' ' 81' ' ' VAL . 51.7 Cg_endo -67.25 63.79 0.7 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.364 2.042 . . . . 0.0 112.456 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.3 mttt -108.94 91.73 9.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.12 140.71 50.3 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.51 2.14 . . . . 0.0 112.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -129.73 173.62 10.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 11.7 mtt-85 -152.31 115.54 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -101.72 121.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.6 ptm -110.92 141.81 43.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -126.96 164.33 21.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -113.57 154.84 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -146.89 170.59 16.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -131.87 31.06 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -171.0 127.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -72.94 -31.48 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.8 m -76.16 -34.97 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.16 -52.36 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -60.32 -33.81 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -31.36 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.52 -28.09 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.8 mm -73.52 -51.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.17 -47.36 85.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.3 ptp -58.55 -31.21 67.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.4 m -83.68 -26.08 30.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.74 -27.38 33.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -78.1 -30.53 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -73.29 -29.62 62.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.449 ' CG2' ' CE2' ' A' ' 111' ' ' TYR . 14.3 mt -76.32 -41.88 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.4 mt -73.85 -33.4 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.3 p -62.5 -28.49 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -89.4 -27.14 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 14.9 m-30 -95.64 -11.91 26.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.7 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -70.41 -29.26 65.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -108.28 -32.71 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.32 82.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.857 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.69 11.63 37.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.79 -46.49 6.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.93 -42.7 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 68.5 m -59.86 -31.32 69.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -29.06 64.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -83.45 -27.19 29.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -92.4 -34.75 14.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.7 tt -58.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 64.2 m-85 -91.59 12.19 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.398 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -92.48 -37.0 12.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 1.1 m -60.03 157.77 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.488 1.181 0 CA-C-O 120.853 0.272 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 p -132.03 121.84 24.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.1 m80 61.2 155.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m 60.17 159.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.11 164.87 31.54 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.85 121.46 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.0 mp -101.85 117.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.414 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 14.9 t80 -121.53 134.72 55.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.18 35.17 15.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.95 31.66 13.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 46.3 t -125.69 133.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.8 p -81.58 117.08 21.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -153.09 168.58 31.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.8 mm -105.54 136.56 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -101.14 134.59 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.046 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.67 115.89 22.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 18' ' ' ILE . 25.9 mt -89.11 133.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -109.05 97.46 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -105.92 27.73 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.11 -30.84 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.8 m -83.85 -178.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.06 -60.86 2.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.348 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 62.5 Cg_endo -73.33 -33.13 7.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.532 2.154 . . . . 0.0 112.747 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 64.18 132.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -132.51 169.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 111.441 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.7 tt -123.82 116.0 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.552 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.6 m -97.71 150.72 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.123 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.414 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 56.2 t90 -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -111.06 136.96 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 t -59.39 144.25 47.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.6 p -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -168.58 76.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.97 -111.47 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -174.42 36.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 119.79 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -132.95 139.27 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -132.83 147.31 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.91 147.84 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -141.52 120.9 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 42.1 t -76.75 103.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 68.7 mt -55.38 -23.74 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -42.95 89.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.9 t -71.11 -27.38 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.994 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.19 151.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -122.41 -44.0 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -129.99 166.7 19.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.2 pp -148.51 115.04 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.86 164.14 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.985 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -148.46 146.48 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 29.6 p -59.52 149.28 71.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.19 158.23 57.06 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.537 2.158 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.11 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -66.35 -30.23 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -59.44 129.03 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.89 -30.99 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 118.75 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -84.62 122.44 29.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.404 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.4 mtm -142.26 152.28 42.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.7 mp -123.64 152.34 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.411 ' HG2' ' CD1' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -145.87 152.09 38.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.407 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -121.68 142.48 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.7 mm -98.44 139.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.79 163.96 48.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -69.39 162.31 27.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.6 t -131.3 159.66 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -140.47 55.97 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -85.07 71.14 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.98 29.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -160.44 -77.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 81' ' ' VAL . 1.0 OUTLIER -61.08 139.05 58.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.97 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -146.37 170.48 16.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 83.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -148.24 108.69 4.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 177.87 -77.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.759 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.53 36.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.21 38.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.23 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 50.71 97.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.029 0.443 . . . . 0.0 111.386 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.74 63.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.546 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.0 m -40.46 156.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.891 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 83' ' ' LYS . 11.0 p -55.04 137.71 66.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.386 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_exo -39.68 90.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.462 2.774 . . . . 0.0 112.968 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.1 ttmt -45.11 142.58 2.79 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.174 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -71.49 -171.26 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.563 2.176 . . . . 0.0 112.393 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -129.45 147.8 51.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -131.34 107.09 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -101.82 143.24 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.781 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.424 ' HE1' ' CD1' ' B' ' 458' ' ' TRP . 0.2 OUTLIER -132.76 139.12 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.57 163.16 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.82 138.53 45.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.84 170.9 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -138.33 34.31 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -167.67 141.29 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -82.42 -38.14 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.32 -31.09 62.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 24.8 t -74.25 -36.7 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.8 ptm -77.98 -31.29 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.37 -31.13 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -74.51 -30.35 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mm -75.47 -51.13 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.2 ttpp -60.24 -45.92 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.047 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -58.73 -31.5 68.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 81.1 m -72.46 -52.93 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -41.08 85.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -58.48 -30.62 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -86.73 -43.31 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.415 HG21 ' CE2' ' A' ' 111' ' ' TYR . 13.7 mt -63.77 -44.32 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.039 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -71.47 -30.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -82.84 -31.03 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 mtp-105 -71.87 -34.47 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.415 ' CE2' HG21 ' A' ' 107' ' ' ILE . 22.9 m-85 -91.08 10.75 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.337 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -97.51 -35.17 10.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.96 -31.4 39.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.54 77.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.867 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.322 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.32 -31.11 7.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -89.0 -29.47 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -59.3 -50.49 73.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 73.6 m -60.91 -31.24 70.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.424 ' CD1' ' HE1' ' A' ' 88' ' ' MET . 0.2 OUTLIER -86.06 -22.46 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.105 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.6 -28.07 56.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -46.48 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.5 tt -56.86 -25.06 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.411 ' CD1' ' HG2' ' A' ' 61' ' ' ARG . 40.1 m-85 -100.46 -30.56 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.24 -31.44 60.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 80.9 p -75.7 107.45 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo . . . . . 0 N--CA 1.489 1.245 0 CA-C-O 120.813 0.255 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -133.58 79.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 60.2 77.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.7 p -176.85 140.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.02 135.61 3.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -62.21 101.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.42 ' HB1' ' CZ ' ' A' ' 91' ' ' PHE . . . -113.61 142.66 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mp -107.77 124.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.419 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 4.7 t80 -124.0 128.87 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 59.62 43.98 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.32 30.39 19.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.048 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.1 t -122.33 129.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.987 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.29 120.0 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.64 170.55 33.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.63 136.03 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 1.2 tt -101.1 151.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.73 127.68 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.438 HD11 HG23 ' A' ' 18' ' ' ILE . 30.2 mt -97.31 135.53 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -116.96 115.12 24.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.6 29.69 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.95 -31.98 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.423 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 7.8 p -120.17 151.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.514 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -46.46 -59.63 4.76 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.761 -179.329 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 33.3 Cg_exo -57.74 -18.45 33.82 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.359 2.04 . . . . 0.0 112.533 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 68.37 174.94 0.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.45 132.96 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.193 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.5 tt -114.76 107.96 16.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.432 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -98.14 136.87 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.419 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 70.2 t90 -129.26 107.49 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.687 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -107.98 140.38 41.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.7 p -58.17 157.31 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.9 -61.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.61 62.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -132.1 -60.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -102.15 136.29 42.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.9 p -148.75 139.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -137.88 144.78 41.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.93 138.77 52.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 p -142.14 130.23 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 28.1 t -68.24 118.78 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 66.7 mt -58.29 -23.7 57.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.1 t -56.86 -31.62 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.141 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.0 t -66.3 -29.18 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.004 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.9 151.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -124.87 -49.94 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -130.04 162.49 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.5 mp -123.16 141.94 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -152.61 130.9 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -138.9 167.23 22.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.3 p -75.56 154.18 85.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.81 160.54 49.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.571 2.18 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.55 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.36 -31.54 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.6 p -61.86 142.63 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -80.81 -51.87 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -76.28 93.24 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.65 113.33 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mtm -147.27 165.76 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -136.53 164.5 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.424 ' HD3' ' CD2' ' B' ' 462' ' ' PHE . 13.8 ttp85 -145.78 112.49 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mt -92.85 142.02 27.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.3 mm -115.5 107.39 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 169.22 40.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.557 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -84.56 149.29 26.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.43 159.22 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -140.45 109.01 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.79 -31.12 14.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 m -81.04 -31.35 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -92.77 -61.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.43 117.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -79.81 133.51 36.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -106.61 83.61 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -130.81 34.15 4.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -106.12 -48.37 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.29 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.25 61.93 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -176.63 128.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -76.09 102.62 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.1 p -138.46 155.55 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.76 105.28 15.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.17 61.69 3.3 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.461 2.107 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt 59.93 160.4 0.1 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.53 138.31 41.67 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.593 2.195 . . . . 0.0 112.282 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -60.0 127.98 34.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -148.92 99.52 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -115.4 154.5 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.421 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.0 ppp? -136.32 150.06 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -136.16 126.0 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.785 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.13 153.13 26.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.42 ' CZ ' ' HB1' ' A' ' 7' ' ' ALA . 14.5 m-85 -143.51 166.62 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -130.7 34.33 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -167.41 128.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -68.59 -40.97 80.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -67.25 -39.61 86.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.3 t -73.58 -38.85 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.018 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.7 ttp -71.84 -33.64 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -31.72 71.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -66.28 -37.54 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.417 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 30.4 mm -68.79 -54.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -58.79 -42.1 88.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.4 ttp -64.95 -44.48 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 84.4 m -65.63 -48.82 70.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 4.8 mp -60.14 -41.85 93.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.0 mt-30 -59.41 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -81.16 -40.67 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 7.1 mt -64.42 -42.77 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.0 mt -72.51 -40.59 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 m -69.87 -31.51 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.55 -31.68 72.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.424 ' CE2' ' O ' ' A' ' 23' ' ' SER . 4.8 m-85 -97.72 9.16 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.367 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -98.48 -31.68 11.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -99.92 -31.64 11.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -101.92 -47.18 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.942 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -174.46 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -71.98 -30.84 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -60.33 -51.75 68.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 21.1 p -70.5 -31.85 69.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.433 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -60.37 -31.97 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.73 -33.83 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.02 -44.07 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 10.4 tt -64.02 -26.0 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.425 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.424 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 28.8 m-85 -99.29 -28.71 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.236 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -85.48 -41.07 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 5.8 m -90.8 119.38 30.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 63.3 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.171 0 CA-C-O 120.831 0.263 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.81 36.93 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -94.69 94.13 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -163.57 163.57 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -173.92 156.92 24.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.511 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.45 107.25 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -127.39 156.29 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.005 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.1 mt -130.64 115.69 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.482 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.5 t80 -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 60.98 30.91 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.95 37.83 9.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.034 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 55.7 t -128.37 129.37 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.2 m -75.35 121.69 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.06 -177.23 34.93 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.0 mm -112.74 128.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.431 HG13 ' CD1' ' A' ' 29' ' ' TRP . 0.2 OUTLIER -101.12 125.79 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.59 136.95 43.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.464 HG22 HD13 ' A' ' 18' ' ' ILE . 29.1 mt -89.18 135.03 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -107.55 112.22 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.98 26.52 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -97.78 22.66 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.413 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 9.6 p -154.23 146.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -44.29 -69.57 0.22 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.892 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.5 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 56.6 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.119 1.88 . . . . 0.0 111.469 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.07 118.97 1.08 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.732 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -121.7 147.57 45.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.094 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.3 tt -111.79 130.2 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -99.04 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.431 ' CD1' HG13 ' A' ' 16' ' ' ILE . 29.1 t90 -142.53 112.28 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.729 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -115.6 132.35 56.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 p -58.1 154.67 12.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 43.6 p -57.64 -48.49 79.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.96 -31.62 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.21 44.08 4.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -115.58 -38.78 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.19 135.97 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.8 p -148.05 127.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -127.7 150.57 49.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 147.77 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 p -135.8 112.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -64.72 104.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 48.6 mt -60.39 -28.04 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -56.57 -30.48 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.8 p -68.81 -28.76 67.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.4 mm -61.48 154.55 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.081 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -119.59 -49.76 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.06 158.81 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.44 140.87 41.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -143.53 143.65 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.47 162.34 41.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.3 p -69.15 154.07 95.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 161.81 44.46 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.587 2.192 . . . . 0.0 112.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -66.38 -32.03 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 123.16 17.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.01 -32.17 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 110.31 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtm -86.43 118.35 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -141.89 162.71 34.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -129.62 147.31 51.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -145.85 133.18 20.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' N ' ' CD2' ' A' ' 62' ' ' LEU . 2.1 mm? -104.1 142.51 34.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.7 mm -107.24 99.91 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.96 172.74 6.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.85 -177.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.344 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 12.6 p -110.48 151.54 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.14 80.56 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -59.06 -31.46 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.7 t -62.52 -31.27 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -79.98 -74.49 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -132.58 145.43 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -154.59 107.09 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.784 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt 43.32 92.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.384 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.28 110.23 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 54.84 26.18 7.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 54.65 24.19 5.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.85 -20.7 25.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -163.14 115.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.677 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.57 90.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 82' ' ' PRO . 11.4 t 64.18 131.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.457 ' HB ' ' HD3' ' A' ' 82' ' ' PRO . 2.4 t -87.76 -48.64 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.448 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.457 ' HD3' ' HB ' ' A' ' 81' ' ' VAL . 25.3 Cg_exo -63.27 -156.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.394 2.063 . . . . 0.0 112.097 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.03 144.13 39.79 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.36 -168.11 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.542 2.161 . . . . 0.0 112.293 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.84 154.28 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 -144.14 123.38 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -115.01 117.29 30.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.415 ' HE2' ' CZ ' ' B' ' 462' ' ' PHE . 5.0 ppp? -101.52 149.46 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 64.2 m-85 -131.63 154.06 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.92 128.93 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -127.28 170.53 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -141.54 31.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -169.91 123.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -37.46 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 m -61.41 -33.06 73.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 25.4 t -74.12 -50.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -60.38 -32.71 71.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -63.31 -36.89 85.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -72.76 -39.77 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.8 mm -69.69 -54.83 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.4 ttmt -57.97 -49.06 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.61 -50.95 71.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.2 m -62.63 -41.48 99.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -40.54 86.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -61.09 -31.07 70.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -72.32 -31.21 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.404 HG22 HD13 ' A' ' 107' ' ' ILE . 34.4 mt -74.12 -34.93 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.1 mt -77.28 -41.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 p -67.76 -31.4 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -71.56 -32.13 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 107' ' ' ILE . 23.3 m-85 -91.87 11.25 25.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.305 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -94.23 -34.31 12.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.43 11.46 12.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.329 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.71 36.82 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.81 0.338 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.884 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.55 11.57 17.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.303 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.29 9.48 31.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.51 -52.01 67.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.08 -31.32 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.414 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.0 OUTLIER -59.83 -30.8 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.22 -38.81 85.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.99 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.4 tt -60.88 -29.33 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.415 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 41.8 m-85 -103.89 12.1 34.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.0 2.35 43.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.363 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 33.1 m -71.09 128.82 37.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo . . . . . 0 N--CA 1.488 1.17 0 CA-C-O 120.82 0.258 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.2 t -155.1 123.54 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.2 m80 59.79 39.98 20.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -156.74 141.47 16.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.53 164.0 36.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.541 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.57 123.85 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.584 ' HA ' ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -109.98 129.31 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 5.8 t80 -103.04 101.75 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 8.3 pt-20 40.16 22.0 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' GLU . 6.0 mttt 158.58 -62.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.584 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.7 t -69.73 132.2 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.6 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -110.1 114.67 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.5 -169.58 11.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -108.66 130.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.334 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 0.9 OUTLIER -101.01 151.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 126.15 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.48 HD13 HG21 ' A' ' 18' ' ' ILE . 29.7 mt -101.24 134.31 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -104.11 97.86 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -82.44 -22.63 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.52 -30.0 28.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.402 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -93.89 146.66 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.5 m -56.42 -66.08 1.32 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.663 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 23.2 Cg_endo -61.56 -14.31 34.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 112.77 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.76 154.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.88 137.34 26.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.4 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.6 tt -114.06 107.94 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -100.93 135.91 41.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.074 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.1 t90 -123.65 110.78 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -106.52 138.5 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.54 144.3 57.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 m -60.12 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -148.45 83.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.41 -127.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -160.18 31.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.74 118.91 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -141.22 137.84 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -130.52 148.44 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -127.93 132.16 49.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 p -142.11 122.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.33 126.54 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.17 -31.21 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.01 -28.6 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 p -64.92 -28.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 40.7 mm -57.82 152.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.086 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -122.5 -40.61 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -130.03 169.92 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 24.9 mt -135.45 112.93 10.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.8 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.58 131.12 43.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.13 167.25 23.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 12.4 p -83.2 147.21 53.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.44 165.53 32.41 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.542 2.161 . . . . 0.0 112.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.88 -29.77 67.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -66.44 -31.28 71.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.8 p -60.04 153.27 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -79.74 -40.47 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -95.57 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mtp -80.36 113.38 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.41 ' HE1' ' CZ ' ' B' ' 462' ' ' PHE . 51.5 mtm -151.53 163.44 39.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 tt -133.36 159.29 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -145.83 135.76 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.2 mt -113.85 142.54 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.1 mm -113.36 120.52 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.39 164.04 43.35 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -60.28 168.13 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.41 158.16 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -132.14 105.77 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -129.12 104.22 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -157.9 -70.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -43.6 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mttp 62.11 111.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -127.37 -165.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt 62.91 83.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.922 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -176.92 108.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 61.35 60.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -178.07 -71.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 78' ' ' ASN . . . -132.04 104.91 0.58 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.421 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 77' ' ' GLY . 8.5 p30 45.34 102.4 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 111.684 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -64.63 122.5 16.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.934 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.4 p -160.25 158.13 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.2 t -120.32 136.24 25.04 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.3 60.52 5.68 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.469 2.113 . . . . 0.0 112.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -77.37 162.78 67.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.68 138.0 40.27 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.528 2.152 . . . . 0.0 112.231 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -87.48 108.78 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 33.3 mtm180 -109.44 110.88 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -101.77 129.89 48.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.423 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.3 ptm -110.47 114.69 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -110.41 136.48 49.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -91.71 158.02 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.415 ' CD2' ' HA ' ' A' ' 97' ' ' MET . 35.2 m-85 -140.67 170.85 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.22 34.19 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -169.55 124.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -34.05 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.72 -37.27 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.3 t -79.79 -46.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.415 ' HA ' ' CD2' ' A' ' 91' ' ' PHE . 27.1 ttp -59.99 -32.13 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -82.64 -31.62 28.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.8 -26.77 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.402 HG13 ' CE2' ' A' ' 91' ' ' PHE . 35.1 mm -74.41 -51.65 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -59.02 -47.19 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -58.12 -28.57 64.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.996 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 64.5 m -82.35 -31.27 29.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.9 -42.21 24.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -57.98 -29.14 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -44.83 20.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.7 mt -64.57 -42.38 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.1 mt -72.46 -42.44 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 m -68.7 -31.93 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -70.41 -30.96 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -104.9 9.95 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.368 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -80.56 -52.78 7.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.74 -42.3 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.98 -31.68 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.897 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.899 0.38 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . 0.42 ' HG ' ' CE3' ' B' ' 458' ' ' TRP . 3.3 tp 68.01 11.7 8.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.433 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.82 -60.64 1.81 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.26 -31.26 71.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 1.3 m -68.96 -47.34 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.459 ' CE3' ' CD1' ' B' ' 461' ' ' ILE . 0.1 OUTLIER -53.93 -28.1 35.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.4 -21.72 63.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.02 1.71 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.626 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . 0.459 ' CD1' ' CE3' ' B' ' 458' ' ' TRP . 41.3 mt -100.13 -33.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.4 m-85 -109.75 8.08 24.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.569 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -100.12 -38.08 8.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.832 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 5.5 p -60.5 92.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.836 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -174.76 -177.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 m80 60.4 39.87 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -167.48 -178.44 3.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.57 160.75 10.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.87 135.83 57.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.4 ' CB ' ' CD1' ' A' ' 16' ' ' ILE . . . -153.26 129.27 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 2.4 mp -102.79 120.54 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 7.2 t80 -102.92 114.69 29.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 73.88 -45.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.529 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -179.46 -32.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -69.25 133.84 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 111.239 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.05 116.68 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.3 -171.41 12.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.54 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -108.74 124.56 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.4 ' CD1' ' CB ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -101.0 129.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.07 121.86 19.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.7 mt -89.19 135.17 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -112.95 111.34 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.34 29.91 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -85.71 -34.48 21.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.0 p -98.58 148.03 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.467 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -49.58 -65.35 0.86 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.712 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.467 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 18.2 Cg_endo -59.1 -18.22 42.57 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.563 2.176 . . . . 0.0 112.605 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.97 156.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.04 141.36 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tt -106.54 118.55 36.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.666 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.85 120.32 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.417 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 35.8 t90 -113.73 109.86 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.5 mtp180 -100.15 144.64 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -75.51 142.22 42.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 m -69.03 -40.61 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.32 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.09 -171.7 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -130.71 71.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.72 125.73 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 33.3 m -108.69 149.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.213 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -127.64 110.59 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.42 118.81 27.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.6 p -125.69 109.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -59.81 123.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.0 mt -80.38 -27.2 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -32.49 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -63.44 -29.88 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -60.9 152.64 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -121.43 -46.2 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -130.01 157.57 41.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.5 mp -108.34 139.48 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.784 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -140.86 141.97 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -157.05 166.91 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.0 p -70.35 149.45 95.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.44 156.72 60.96 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 112.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.34 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -66.38 -31.79 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.5 t -73.87 125.18 27.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.55 -31.09 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -77.68 117.06 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mtm -106.25 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.4 mtm -151.55 147.92 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.8 tp -112.32 132.61 54.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -135.36 124.41 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -102.9 142.53 33.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mm -102.24 130.49 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.48 165.08 49.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -77.47 128.52 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -78.94 148.33 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -133.49 96.69 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.26 -75.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -77.51 70.32 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -151.55 -59.43 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp 60.31 104.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -85.69 162.96 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -127.87 103.46 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.02 -36.71 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -173.67 36.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 60.49 170.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.58 -28.6 12.7 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -177.03 105.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.22 155.87 16.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.0 m -96.64 137.58 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.44 ' O ' ' N ' ' A' ' 83' ' ' LYS . 10.4 p -73.96 138.27 76.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -39.87 88.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.463 2.775 . . . . 0.0 113.123 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 81' ' ' VAL . 9.1 mmmt -110.52 96.5 27.81 Favored Pre-proline 0 C--N 1.316 -0.886 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.41 125.54 14.0 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.506 2.137 . . . . 0.0 112.426 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -69.16 143.01 54.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -148.28 93.9 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -101.8 129.37 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.42 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 0.2 OUTLIER -112.18 149.91 31.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.462 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 98.0 m-85 -128.72 152.22 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.95 138.53 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -134.39 159.47 40.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -134.39 34.29 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -162.92 113.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -64.4 -31.78 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.7 82.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -77.15 -33.12 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.43 -35.53 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.93 -41.49 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -60.55 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.87 -54.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -60.24 -32.32 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.5 ttm -75.35 -43.79 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -61.98 -47.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.61 -44.49 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -58.5 -30.1 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.89 52.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.02 -41.97 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 13.3 mt -71.28 -43.13 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 m -63.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.12 -31.46 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -98.75 10.96 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -79.65 -43.62 22.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.68 11.37 24.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.297 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 56.19 37.13 28.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 111.213 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 2.6 tp -108.03 -29.34 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.84 -31.46 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.11 -31.65 72.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 3.8 t -89.46 -29.1 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -57.65 -28.93 64.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.07 -27.96 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.34 -1.17 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.514 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . 0.436 HG23 HD11 ' B' ' 461' ' ' ILE . 12.6 tt -99.56 -39.9 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.42 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.1 m-85 -88.16 -31.99 18.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -40.82 90.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 24.0 m -62.29 140.77 58.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 42.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo . . . . . 0 N--CA 1.489 1.208 0 CA-C-O 120.931 0.305 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -157.89 32.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 59.87 39.7 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -164.62 166.02 20.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.75 161.75 23.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.81 138.49 57.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.82 127.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.402 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 2.9 mp -102.09 124.13 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 12.6 t80 -127.54 131.46 50.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.34 37.03 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 62.54 36.39 13.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 44.3 t -132.84 134.07 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.19 127.61 33.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.22 170.81 37.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 mm -105.56 135.46 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -101.06 140.48 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.025 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.93 122.41 18.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 18' ' ' ILE . 28.3 mt -89.19 134.52 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -100.96 113.71 26.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -101.45 27.73 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.39 -37.88 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -88.33 146.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.6 m -49.27 -66.75 0.53 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.79 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.486 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 20.4 Cg_endo -60.66 -16.23 41.99 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.473 2.115 . . . . 0.0 112.785 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 60.55 160.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.959 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.92 162.53 39.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.9 tt -119.39 116.94 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -97.79 145.86 25.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.418 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 53.7 t90 -136.3 110.18 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -108.79 136.35 48.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 p -59.69 143.81 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.9 t -60.36 -46.36 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -125.5 -43.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.6 -169.82 0.17 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -122.54 30.32 6.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.3 118.7 37.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.6 p -133.71 139.16 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -133.47 150.6 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.39 145.45 48.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 p -142.1 121.76 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.6 t -74.37 109.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.1 mt -63.58 -22.71 67.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.7 -45.57 74.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 11.2 t -61.03 -29.17 69.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.93 153.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -124.83 -48.13 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.07 159.62 36.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.4 pp -132.72 152.9 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -149.4 135.73 19.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -122.9 159.36 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -76.85 160.38 76.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.83 139.15 39.29 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.51 2.14 . . . . 0.0 112.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.51 -29.38 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -66.4 -31.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -68.21 165.69 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -92.47 -45.44 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -73.47 86.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.3 mtm -79.23 114.83 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 47.8 mtm -151.51 165.68 33.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.5 tp -123.62 156.61 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HD3' ' CD2' ' B' ' 462' ' ' PHE . 0.6 OUTLIER -144.14 125.61 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.55 123.51 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.6 mm -86.74 134.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.62 -164.53 9.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -105.99 158.89 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.1 t -103.63 158.4 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -170.35 125.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -138.91 35.68 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.6 p -137.74 -61.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -49.42 77.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.6 mmmm 60.88 165.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -150.04 -179.64 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -151.29 116.28 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -158.74 89.59 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -171.16 -76.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -177.27 37.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.08 72.35 1.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -177.22 129.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.16 126.23 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 t -111.18 142.05 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.435 ' O ' ' N ' ' A' ' 83' ' ' LYS . 21.7 t -97.38 106.72 34.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -39.31 89.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.457 2.771 . . . . 0.0 113.165 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.6 mttt -72.85 148.99 89.98 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.77 91.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.609 2.206 . . . . 0.0 112.263 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -69.26 145.7 52.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 17.0 mtt180 -152.73 105.11 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -106.69 151.86 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.427 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -136.36 149.87 48.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 84.3 m-85 -127.95 143.74 51.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.829 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.71 149.4 26.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.419 ' CD2' ' HB2' ' A' ' 97' ' ' MET . 27.0 m-85 -138.57 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -138.29 32.89 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.97 148.2 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -82.41 -52.38 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.3 m -59.75 -48.19 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.57 -58.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.419 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 10.6 tmm? -59.82 -31.14 69.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.77 -46.56 78.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -57.56 -30.9 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.417 HG13 ' CE2' ' A' ' 91' ' ' PHE . 33.3 mm -64.93 -51.65 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -56.61 -42.87 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -42.9 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.5 m -67.17 -23.61 65.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -83.45 -48.15 10.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.137 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -56.19 -28.7 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.143 -179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -71.93 -31.14 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.412 HG23 ' CE2' ' A' ' 111' ' ' TYR . 22.4 mt -77.77 -34.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 39.5 mt -72.53 -51.44 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -60.49 -31.36 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -31.64 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' HG23 ' A' ' 107' ' ' ILE . 3.9 m-85 -104.79 8.94 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.372 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -86.09 -31.61 21.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.93 -39.39 94.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.31 -69.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.3 t0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.908 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 68.78 11.64 8.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.381 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.74 -36.92 15.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -73.19 -30.48 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 2.0 t -58.64 -29.21 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -57.9 -29.18 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -28.78 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . 0.436 ' CZ ' ' CG2' ' B' ' 464' ' ' THR . 31.5 t80 -85.7 -40.93 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 10.9 tt -59.19 -30.46 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.427 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 22.1 m-85 -95.95 -29.3 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -31.29 43.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 464' ' ' THR . . . . . 0.436 ' CG2' ' CZ ' ' B' ' 460' ' ' TYR . 11.4 p -60.36 173.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.487 1.138 0 CA-C-O 120.823 0.26 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 m -62.2 101.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -82.25 89.18 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -162.29 142.8 10.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.51 146.3 11.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -61.82 108.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.02 129.57 50.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.1 mp -99.36 102.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.93 140.09 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 62.03 32.56 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt 62.94 30.49 16.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.5 t -126.81 136.53 60.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -73.98 121.09 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -159.88 170.86 36.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -108.87 138.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.04 143.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.72 121.87 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.436 HD13 HG21 ' A' ' 18' ' ' ILE . 28.0 mt -93.05 134.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -110.73 120.68 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.23 29.69 4.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.12 -31.68 30.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.765 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.0 p -107.35 148.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.18 -65.11 0.83 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.491 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.464 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 17.9 Cg_endo -59.2 -17.45 39.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.503 2.135 . . . . 0.0 112.582 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.69 171.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -160.15 148.16 16.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.0 tt -112.36 118.02 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.615 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -97.79 146.61 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 55.0 t90 -140.82 108.68 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -109.32 135.64 50.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 143.35 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 p -58.98 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.0 31.13 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.39 -160.93 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -132.9 31.09 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.05 118.81 32.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.9 p -131.83 129.39 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -121.41 150.62 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -126.29 127.92 46.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 p -132.68 114.6 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.0 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.7 p -58.09 130.15 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.4 mt -72.62 -23.08 60.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.23 -41.24 83.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.128 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 19.7 p -55.22 -24.12 25.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.214 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.9 mp -82.43 129.6 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -107.4 -34.14 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -130.1 154.42 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.553 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 4.8 mt -109.82 152.92 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 155.2 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -153.7 167.2 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.407 HG22 ' CE1' ' B' ' 462' ' ' PHE . 71.9 p -86.05 153.14 56.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.35 155.96 65.76 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.529 2.152 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.83 -30.06 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -66.43 -30.84 71.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -59.42 133.42 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.57 -31.62 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.16 117.73 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.2 ttp -94.06 113.41 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.3 mtm -151.49 157.51 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 1.0 OUTLIER -124.41 154.9 39.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.76 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.421 ' HG2' ' CD1' ' B' ' 462' ' ' PHE . 3.0 ptt180 -145.82 152.12 39.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.106 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.56 142.54 46.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.8 mm -102.6 119.33 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.04 -172.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -86.2 -176.88 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.95 154.27 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -171.9 100.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -99.19 35.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.87 33.53 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -117.88 -74.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? 59.6 -176.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 mmt-85 60.93 -176.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.86 91.8 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -95.8 179.59 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 60.65 92.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 62.74 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 176.8 102.74 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -176.61 115.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.75 97.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.0 p -103.1 146.31 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.3 t -84.1 136.12 41.31 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.76 61.85 3.01 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.467 2.111 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -134.17 157.07 78.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 128.57 16.32 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.535 2.156 . . . . 0.0 112.286 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.61 150.26 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 7.7 mtt180 -132.65 111.92 11.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -101.81 131.98 47.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.43 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -124.29 149.99 45.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 60' ' ' LEU . 7.0 p90 -145.37 146.52 31.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.02 161.38 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.422 ' CZ ' HG13 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -154.89 157.84 38.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.778 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -131.44 34.33 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -150.01 110.74 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -39.55 90.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -71.75 -40.07 69.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.422 HG13 ' CZ ' ' A' ' 91' ' ' PHE . 25.2 t -74.65 -32.44 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.43 -33.93 71.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -85.4 -30.41 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -60.11 -29.41 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.07 -50.78 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.5 ttpp -64.91 -44.48 89.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -31.67 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.759 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.6 m -82.82 -32.94 27.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.57 -39.29 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.869 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.25 -30.3 68.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.15 -35.99 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 25.3 mt -71.02 -37.97 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.6 mt -74.82 -44.83 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.3 t -59.51 -40.05 85.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.44 -45.23 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 3.2 m-85 -90.48 8.85 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.362 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.78 -45.17 6.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -76.44 -31.49 57.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.83 -33.16 73.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.404 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 18.6 mt -82.95 -31.75 27.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.48 -34.34 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -31.42 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 3.6 m -59.85 -29.25 68.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -58.36 -27.57 64.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.039 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.68 -28.79 33.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.28 -38.39 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.1 tt -58.11 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 88' ' ' MET . 26.6 m-85 -93.59 -31.11 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.45 -55.7 14.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 9.7 t -86.89 137.76 32.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo . . . . . 0 N--CA 1.489 1.235 0 CA-C-O 120.791 0.246 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -95.06 -31.05 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -98.59 84.62 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.5 p -176.28 161.5 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -168.21 150.46 16.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 106.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -121.89 131.2 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.071 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 23.2 mt -111.21 103.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 8.5 t80 -107.12 139.88 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 61.96 32.06 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt 62.24 37.35 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 60.3 t -127.49 129.08 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.033 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 38.7 m -74.02 116.85 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.13 171.07 35.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.6 mm -106.67 139.45 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.403 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 1.1 tt -101.05 144.45 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.73 114.45 11.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.5 mt -89.38 134.91 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.13 108.38 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.83 25.97 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.8 -30.07 13.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.733 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.42 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.95 147.51 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -43.78 -68.75 0.26 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.952 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.504 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 52.1 Cg_endo -68.45 81.05 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.189 1.926 . . . . 0.0 111.494 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.66 130.39 4.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.706 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -121.69 147.67 45.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.403 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.8 tt -114.1 120.55 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.681 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.8 m -103.52 150.17 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.9 t90 -142.51 119.56 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 142.3 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 p -59.05 143.92 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.4 t -58.63 -43.44 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -154.08 31.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -106.36 -134.16 7.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.26 31.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.68 119.0 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.0 p -131.71 123.81 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.7 t60 -123.7 146.6 48.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.414 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 5.9 m -124.37 137.03 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 15.6 m -130.62 134.62 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.1 p -73.87 135.56 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 55.7 mt -80.62 -27.46 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.015 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.9 -28.3 61.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.103 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 15.3 t -73.7 -28.65 61.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.2 mm -57.51 150.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.91 -49.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -129.97 140.28 50.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.33 124.62 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -123.76 157.37 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.36 167.22 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.4 p -82.71 154.62 68.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.29 161.54 44.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.517 2.145 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.22 -28.06 47.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -66.32 -31.31 72.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -78.08 156.68 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -98.44 28.86 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.411 ' HD2' ' CH2' ' B' ' 458' ' ' TRP . 13.1 mtmt -130.4 79.16 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -71.7 113.26 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -150.11 165.7 32.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -144.15 134.57 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -125.31 152.16 45.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.81 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.3 mt -114.97 142.62 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.131 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.48 99.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.8 169.15 12.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -85.91 -168.97 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 m -108.66 146.28 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.04 105.63 7.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.19 103.7 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 t -166.72 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -60.63 -43.31 97.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.56 164.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.04 -170.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.2 116.32 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.64 -68.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -110.59 -77.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -177.52 156.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.85 27.17 72.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -177.4 105.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.352 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.93 51.61 2.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.8 p -76.07 142.22 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' CB ' ' CD ' ' A' ' 82' ' ' PRO . 3.7 t -155.6 -65.46 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' A' ' 81' ' ' VAL . 56.3 Cg_endo -69.05 62.74 1.37 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.345 2.03 . . . . 0.0 112.397 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 143.53 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.81 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.37 119.54 6.04 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.5 2.134 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -74.94 146.32 41.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -151.1 95.02 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -108.46 116.54 32.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.447 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.2 ppp? -99.19 135.09 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 94.8 m-85 -119.89 145.43 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.83 143.77 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -128.02 170.91 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -143.04 30.75 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -166.78 141.7 4.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -49.7 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 m -59.96 -33.05 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.2 t -79.98 -41.07 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.0 ttp -61.38 -30.61 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.17 -38.69 60.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.33 -41.55 97.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.0 mm -69.0 -53.39 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -57.48 -48.59 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.028 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 ttp -60.19 -44.49 95.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.0 m -70.17 -27.26 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -84.34 -29.97 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -77.32 -29.73 53.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.43 -29.91 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 19.1 mt -76.42 -32.11 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 32.8 mt -82.37 -31.11 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 -30.88 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.45 ' NE ' ' CE1' ' A' ' 111' ' ' TYR . 4.7 ptm180 -68.24 -27.35 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.45 ' CE1' ' NE ' ' A' ' 110' ' ' ARG . 28.5 m-85 -100.02 11.2 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.4 mttm -96.7 -31.51 12.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -100.81 -31.59 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -91.91 -55.55 3.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.914 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.843 0.354 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.05 11.55 38.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.29 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -71.92 -30.12 65.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.71 -48.37 81.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 16.5 m -63.98 -59.24 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.447 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -54.57 -23.51 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.218 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -90.01 -20.15 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.198 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.64 -26.36 14.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.311 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . 0.449 HG13 ' CD1' ' B' ' 462' ' ' PHE . 20.5 pt -54.29 -27.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.381 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CD1' HG13 ' B' ' 461' ' ' ILE . 84.8 m-85 -89.18 -33.24 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.75 -33.24 58.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 31.3 m -77.86 145.26 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo . . . . . 0 N--CA 1.489 1.21 0 CA-C-O 120.821 0.259 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.67 -68.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 m80 60.17 40.48 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -171.15 157.67 5.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.1 157.77 30.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -61.81 116.35 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' HB1' ' CZ ' ' A' ' 91' ' ' PHE . . . -139.72 131.18 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.007 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mp -94.41 136.78 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.458 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 4.5 t80 -127.82 103.28 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.432 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.428 ' C ' ' HG3' ' A' ' 11' ' ' LYS . 0.3 OUTLIER 65.45 71.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.469 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER 42.47 31.67 0.3 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.738 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.8 t -125.44 122.17 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -80.1 119.09 22.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.1 169.98 32.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 mm -106.0 134.93 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.6 tt -100.97 146.88 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.78 120.3 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.439 HD13 HG23 ' A' ' 18' ' ' ILE . 28.8 mt -95.88 134.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -100.59 115.21 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.88 29.1 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -94.28 -31.46 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.1 p -102.57 148.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -49.83 -65.41 0.86 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.624 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.46 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 17.9 Cg_endo -59.5 -16.92 38.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.717 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 61.98 165.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -151.1 143.42 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.5 tt -117.05 110.08 17.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.628 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -97.79 149.66 22.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.421 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 69.8 t90 -136.94 107.95 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.8 mtp85 -106.48 130.88 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 147.83 31.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.0 t -83.32 -30.8 27.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -150.47 78.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.63 -127.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -166.85 36.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.37 125.78 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -140.38 142.69 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -142.92 146.87 34.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -127.87 134.85 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.97 145.96 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 14.0 t -78.34 130.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.79 -28.56 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.994 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 t -59.46 -29.37 67.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -69.75 -23.29 63.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 47.2 mm -56.13 150.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 38.6 t0 -119.35 -48.99 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -130.02 158.75 38.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mp -124.57 137.33 54.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.765 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.16 156.91 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.98 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.6 p -59.8 154.02 49.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 160.68 48.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.574 2.182 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.5 m -66.47 -31.42 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -64.51 138.26 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.67 -39.0 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.61 98.74 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -76.61 126.22 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.2 mtm -147.76 141.51 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.62 124.42 51.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -126.01 128.33 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.469 ' N ' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -124.73 143.27 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.966 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 ' CD1' ' N ' ' A' ' 63' ' ' ILE . 2.3 mp -110.02 140.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.825 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.28 -178.49 49.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.635 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -105.54 149.23 26.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.897 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.6 m -63.95 117.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -126.48 79.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 78.1 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.44 -47.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -60.69 -76.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt 58.85 27.54 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.324 0.583 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.35 -169.28 1.54 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.05 -155.18 0.67 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.057 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.55 -77.18 0.6 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -163.01 -54.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -171.27 78.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.56 -40.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.541 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -176.05 128.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -77.62 -178.06 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.24 138.83 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.7 136.07 23.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.42 62.09 2.77 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.464 2.109 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -133.27 157.59 77.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.67 96.63 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.57 2.18 . . . . 0.0 112.211 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -72.75 139.91 47.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -117.31 109.04 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -101.75 127.84 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.431 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.8 ptm -120.26 120.2 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 46.1 m-85 -111.51 129.7 55.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.07 158.09 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CG ' ' HG2' ' A' ' 97' ' ' MET . 49.9 m-85 -149.36 170.92 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -131.9 33.97 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -171.55 143.45 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -82.7 -42.74 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.5 t -78.13 -45.16 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . 0.416 ' HG2' ' CG ' ' A' ' 91' ' ' PHE . 1.1 mtm -59.55 -31.32 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.84 -38.77 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -67.32 -31.11 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.8 mm -76.11 -50.92 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.2 ttmt -60.18 -45.14 94.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 19.2 ptp -59.76 -31.36 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 71.4 m -81.81 -28.54 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.6 mp -80.48 -27.67 37.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.084 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -83.27 -39.65 20.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.072 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -58.74 -41.26 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.79 -37.58 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.098 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.2 mt -74.45 -52.11 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 m -58.26 -31.41 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -71.85 -31.06 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 23' ' ' SER . 14.0 m-85 -107.32 10.02 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.327 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -68.15 -42.31 80.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -119.89 -42.85 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.96 -32.85 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.909 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.777 0.322 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.14 11.55 17.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.57 -28.74 26.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.804 0.335 . . . . 0.0 111.022 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.13 -50.15 75.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 45.0 t -72.97 -34.72 66.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -73.4 -28.66 62.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.66 -19.66 44.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.377 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -99.68 -27.85 13.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.742 0.306 . . . . 0.0 111.245 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.4 tt -70.47 -29.57 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.398 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.4 m-85 -99.49 -57.97 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -60.08 -43.52 95.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.26 145.2 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.83 0.263 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.54 144.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -97.75 39.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -175.6 146.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.5 166.72 39.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 136.76 58.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.77 123.29 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.2 mp -98.2 112.97 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -114.88 136.2 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 61.71 35.75 16.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.34 31.3 17.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -129.7 139.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.66 128.59 33.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.1 166.84 37.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.55 137.16 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -101.06 151.12 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.083 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.77 126.27 17.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.439 HG21 HD13 ' A' ' 18' ' ' ILE . 27.3 mt -97.94 134.71 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -116.05 115.29 25.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -100.66 30.58 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -82.78 -35.8 26.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.428 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 7.4 p -106.64 151.81 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.519 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.96 -58.57 9.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -179.245 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.519 ' HD3' ' CB ' ' A' ' 23' ' ' SER . 21.5 Cg_exo -65.21 -13.13 38.13 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.343 2.029 . . . . 0.0 112.625 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 64.8 173.9 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.733 0.301 . . . . 0.0 110.782 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' CG ' ' CG2' ' A' ' 39' ' ' THR . 0.2 OUTLIER -157.72 131.98 8.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.212 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -111.46 111.91 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.403 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.77 140.15 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 58.3 t90 -130.47 107.47 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.653 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.34 131.54 54.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.98 143.23 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.7 m -63.19 -46.22 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -149.66 77.98 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.54 -118.3 0.44 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.81 36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -126.28 124.25 39.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -148.73 137.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 39' ' ' THR . 31.0 t60 -142.75 150.63 40.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 ' O ' ' CD2' ' A' ' 38' ' ' HIS . 17.6 m -113.35 146.2 39.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -142.15 115.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 22.2 t -59.72 127.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.6 mt -80.56 -0.16 36.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.637 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.8 -43.34 30.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.741 0.305 . . . . 0.0 111.125 -179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 t -55.35 -29.27 58.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.148 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.2 mp -72.06 123.17 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.875 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.19 -28.31 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -130.02 157.1 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -118.61 149.04 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.29 121.7 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -131.18 161.89 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -98.37 142.4 24.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.783 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 148.91 66.52 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.468 2.112 . . . . 0.0 112.314 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -26.9 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -28.75 68.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.6 157.33 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -42.87 95.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -126.51 134.29 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -95.94 123.1 39.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.0 mtm -150.78 148.72 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.5 tp -111.22 141.18 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.416 ' HB2' ' CE1' ' B' ' 462' ' ' PHE . 5.3 ttm180 -138.3 142.73 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -118.96 142.51 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 mm -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.95 -174.48 3.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -72.79 171.02 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.5 m -133.18 135.31 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.192 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -177.73 81.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -30.12 68.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.36 52.7 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -112.8 -58.49 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -159.63 143.27 14.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -149.52 143.2 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.779 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.76 111.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.63 -79.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -179.62 -53.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.44 48.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.01 96.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.543 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -176.71 112.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.748 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -91.12 123.79 34.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.39 144.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG1' ' HD2' ' A' ' 82' ' ' PRO . 39.7 t -134.86 137.33 27.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD2' ' CG1' ' A' ' 81' ' ' VAL . 54.2 Cg_endo -68.27 62.53 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.527 2.151 . . . . 0.0 112.413 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -70.78 155.47 93.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -62.28 130.33 30.01 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.54 2.16 . . . . 0.0 112.226 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -81.0 111.31 17.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.32 96.57 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -109.71 137.09 48.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.425 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -123.68 149.98 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -128.76 143.11 50.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.795 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.72 146.18 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -139.19 170.92 15.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -143.7 33.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -158.86 113.77 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -61.73 -35.02 76.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -74.13 -40.9 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 23.2 t -74.91 -38.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 18.8 ttp -60.59 -31.26 70.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.63 -31.24 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.15 -43.36 95.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.5 mm -67.87 -55.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -31.47 70.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.7 ttm -76.64 -43.89 36.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.9 m -66.07 -42.94 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 1.1 mp -58.85 -41.55 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.98 -30.38 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -35.03 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.417 HG21 ' CZ ' ' A' ' 111' ' ' TYR . 16.8 mt -70.89 -40.77 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.7 mt -74.74 -31.17 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 t -79.94 -31.05 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -65.15 -31.11 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 107' ' ' ILE . 4.5 m-85 -95.41 9.08 41.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.403 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -88.09 -73.62 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.06 11.43 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.37 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.5 -75.39 0.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.338 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.889 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.4 -31.25 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.16 -31.27 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -59.95 -36.76 77.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 20.2 m -63.47 -31.4 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.41 ' CD1' ' HE2' ' A' ' 88' ' ' MET . 0.6 OUTLIER -63.9 -29.57 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.63 -29.11 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.93 -39.27 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.5 tt -58.4 -31.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.425 ' CE2' ' HB2' ' A' ' 88' ' ' MET . 23.2 m-85 -95.74 -43.39 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.09 -31.62 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 34.1 p -71.17 102.07 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.975 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_endo . . . . . 0 N--CA 1.488 1.185 0 CA-C-O 120.83 0.262 . . . . 0.0 111.795 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -80.65 -68.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.415 ' CG ' HG23 ' A' ' 103' ' ' THR . 97.4 m-70 -75.83 105.07 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.07 155.86 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.96 144.69 9.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.646 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.11 99.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -115.94 138.0 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.011 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.401 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 3.0 mp -102.22 121.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.196 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 7.4 t80 -124.83 134.64 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 62.22 33.62 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.18 30.72 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.2 t -125.05 132.05 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.7 m -81.53 108.07 14.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.61 172.48 24.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -107.11 134.95 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.404 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.09 140.52 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.87 123.27 25.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.424 HD13 HG22 ' A' ' 18' ' ' ILE . 30.6 mt -95.85 135.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -118.46 121.61 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -102.46 27.52 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -83.3 -40.13 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.425 ' CG2' ' HD2' ' A' ' 24' ' ' PRO . 14.4 p -87.44 146.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.16 -66.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.541 -179.42 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.481 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 34.4 Cg_endo -63.98 -8.72 16.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.623 2.215 . . . . 0.0 113.036 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.28 164.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.744 0.307 . . . . 0.0 111.009 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -154.96 154.19 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.2 tt -123.13 115.62 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.503 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -97.85 150.68 21.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 83.3 t90 -139.74 109.74 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 p -60.0 142.77 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 m -72.32 -69.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.89 30.86 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -133.65 -153.57 7.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.79 25.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -102.03 130.03 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -148.79 141.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.22 150.61 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.12 141.18 44.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.4 p -141.89 124.45 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.7 t -62.71 129.29 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.984 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.8 mt -80.62 -0.83 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.607 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.8 p -78.3 -31.0 48.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.2 t -60.33 -34.4 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.0 mp -65.56 118.12 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.39 -24.64 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 171.39 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 27.3 mt -143.52 112.89 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.803 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.88 136.69 54.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -146.28 167.22 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.7 p -87.1 154.64 54.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -65.72 153.55 77.67 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.574 2.182 . . . . 0.0 112.263 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.17 67.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -66.31 -30.48 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -76.67 129.08 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.69 -31.75 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.73 79.38 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -83.74 113.38 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 2.8 mpp? -145.22 150.97 37.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.2 mt -110.75 143.66 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HD2' ' CG ' ' B' ' 462' ' ' PHE . 14.4 ttt180 -128.58 111.88 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -83.08 141.48 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 6.5 mm -113.26 106.17 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.983 179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.23 -167.34 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -95.44 -179.47 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.24 142.32 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -147.85 112.32 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -104.95 35.59 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.6 p -120.88 34.0 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -151.38 -62.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 60.18 107.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 174.95 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.608 ' CB ' ' H ' ' A' ' 80' ' ' VAL . 31.8 mmtt 59.93 105.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.95 -73.28 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -124.09 32.09 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -100.91 -36.63 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.95 -39.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -150.33 -156.17 0.69 Allowed 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.982 0.42 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.474 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 4.6 mt-10 -140.17 61.67 1.52 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.608 ' H ' ' CB ' ' A' ' 73' ' ' LYS . 9.3 p -44.14 159.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.627 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.437 ' O ' ' N ' ' A' ' 83' ' ' LYS . 21.5 t -121.2 88.08 45.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -39.85 88.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.6 2.867 . . . . 0.0 113.123 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 81' ' ' VAL . 7.8 mmtp -90.18 154.2 46.92 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 122.6 10.99 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.558 2.172 . . . . 0.0 112.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.3 138.26 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -144.22 104.17 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -106.98 147.47 29.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.433 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 2.7 ppp? -129.96 150.05 51.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 3.9 m-85 -133.45 146.14 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -82.03 146.57 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -152.37 141.55 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -111.54 -38.09 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.6 m -60.53 -40.82 92.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.95 -42.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 3.8 ttp -60.54 -35.56 76.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.27 -31.32 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -68.89 -26.9 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.9 mm -73.23 -51.73 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.791 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.1 ttmm -63.99 -47.94 78.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.415 HG23 ' CG ' ' A' ' 3' ' ' HIS . 92.0 m -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.16 -30.14 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.822 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.13 -30.71 66.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -73.53 -28.26 61.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.412 ' O ' ' CD2' ' A' ' 111' ' ' TYR . 12.9 mt -73.52 -27.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.2 mt -82.65 -28.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -78.6 -32.0 47.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.434 ' CD ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 ptm180 -65.22 -28.32 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.066 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.434 ' CE1' ' CD ' ' A' ' 110' ' ' ARG . 11.1 m-85 -89.76 9.57 26.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -114.35 -39.03 3.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -93.92 11.36 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.38 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -90.81 -53.02 4.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.4 11.56 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.326 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -89.84 -32.24 16.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.95 -34.03 72.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 66.1 m -84.74 -30.59 24.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.426 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -57.57 -32.22 66.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.52 -33.37 75.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -79.63 -2.98 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . 0.416 ' CD1' ' CE3' ' B' ' 458' ' ' TRP . 50.0 mt -100.07 -28.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.711 0.291 . . . . 0.0 111.345 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.8 m-85 -109.72 12.04 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.75 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.18 2.2 42.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.612 0.244 . . . . 0.0 111.37 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 8.9 t -74.59 -46.76 36.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.831 0.348 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 3.2 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.488 1.165 0 CA-C-O 120.858 0.274 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -159.82 -52.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -75.47 88.7 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -175.27 155.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.79 163.05 35.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.89 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.84 126.13 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.404 ' N ' ' CD1' ' A' ' 8' ' ' ILE . 3.2 mp -103.5 132.64 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -132.3 126.2 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 59.3 44.22 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.77 34.47 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -124.74 130.51 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.035 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -84.39 109.67 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.12 167.49 27.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -105.59 138.41 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.408 ' CD1' ' CD2' ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.02 145.38 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 114.73 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.441 HD11 HG21 ' A' ' 18' ' ' ILE . 27.3 mt -89.22 134.24 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -116.89 97.56 6.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -97.48 34.16 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -102.41 -35.22 8.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.0 p -55.67 -60.01 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.488 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.1 t 166.71 -68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.344 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 89.2 Cg_endo -76.42 -10.4 18.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.362 2.041 . . . . 0.0 112.1 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 66.79 121.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -121.73 159.62 26.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.408 ' CD2' ' CD1' ' A' ' 16' ' ' ILE . 6.8 tt -114.95 117.64 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -104.64 143.92 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' A' ' 38' ' ' HIS . 70.2 t90 -134.07 119.73 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.751 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.73 136.76 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -59.09 152.6 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -59.31 -31.95 69.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.6 -42.25 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.25 59.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.21 -54.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 118.81 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.4 p -147.25 137.06 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.411 ' CE1' ' CE3' ' A' ' 29' ' ' TRP . 7.6 p-80 -137.06 150.57 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -117.71 126.59 52.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.34 139.74 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.96 136.23 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.9 mt -80.51 -28.87 37.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.7 t -56.55 -29.83 62.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -65.63 -30.29 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.0 mm -64.34 154.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -122.39 -47.52 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -130.08 161.09 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.3 127.01 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -137.04 146.1 44.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -151.16 167.19 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 27.7 p -72.51 153.95 91.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 165.49 30.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.64 64.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -66.33 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 131.32 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.22 -56.36 22.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.0 118.61 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -94.93 113.37 25.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.403 ' HE2' ' CH2' ' B' ' 458' ' ' TRP . 45.8 mtm -150.31 165.73 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 tt -135.4 165.42 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.419 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -144.97 129.1 17.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.0 mt -106.65 133.03 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.8 mm -110.62 137.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.99 -178.82 34.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -85.67 -173.12 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.3 m -148.12 171.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -135.3 80.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -85.86 83.24 7.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.41 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.6 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.26 160.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -142.38 141.92 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -130.91 85.91 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -104.07 33.27 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -175.46 120.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.33 110.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.05 28.79 5.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -176.61 117.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -107.09 135.96 47.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.89 138.65 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 83' ' ' LYS . 21.7 t -123.62 137.66 29.0 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -40.22 88.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.458 2.772 . . . . 0.0 113.118 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' VAL . 12.4 mtpp -59.53 147.65 76.53 Favored Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 114.373 -1.285 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.0 159.6 49.79 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.518 2.145 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -114.37 120.38 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.13 116.6 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -105.84 145.8 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.4 ptm -116.73 149.57 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -141.35 149.44 41.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.69 146.64 30.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -141.24 141.81 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -106.73 32.32 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -170.44 111.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -60.92 -31.63 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.6 m -65.79 -34.0 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 28.9 t -78.02 -40.96 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 ttp -59.92 -31.48 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.11 -31.86 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.5 -39.6 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.8 mm -72.95 -54.83 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.77 -46.85 83.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.69 -43.96 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.6 m -69.56 -37.4 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.35 -42.11 75.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -57.09 -29.72 63.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.042 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -73.84 -30.63 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.6 mt -78.91 -32.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 36.8 mt -82.61 -31.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -76.61 -40.19 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -30.25 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.78 -11.92 40.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.339 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -30.24 63.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.0 -31.57 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.12 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.854 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.906 0.384 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 5.0 tp 68.14 11.7 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.442 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -95.79 -58.54 2.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.816 0.341 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -39.41 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -32.16 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.419 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.0 OUTLIER -78.88 -30.96 45.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.87 -35.96 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -41.75 70.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 11.4 tt -58.62 -28.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 30.7 m-85 -101.2 -30.92 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.94 -67.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 30.0 p -94.43 178.49 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 77.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.153 0 CA-C-O 120.785 0.244 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.25 31.56 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -103.33 84.52 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 p -172.09 162.44 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.1 144.07 8.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.581 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -63.31 104.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -120.85 141.51 50.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 mp -107.54 129.01 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.133 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.487 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 3.1 t80 -133.55 130.66 38.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.779 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 64.01 36.47 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.45 35.07 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 59.9 t -132.57 130.25 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.015 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.4 m -82.44 126.71 32.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.749 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.37 173.44 34.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.615 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.2 mm -105.56 132.19 53.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -101.05 151.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.74 122.36 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 15.4 mt -89.17 132.27 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -109.22 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -102.57 27.96 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -89.61 -29.71 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 25' ' ' ALA . 10.5 m -92.02 -178.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.22 -60.61 2.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 60.2 Cg_endo -72.72 -32.05 9.83 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.567 2.178 . . . . 0.0 112.694 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 22' ' ' VAL . . . 62.97 143.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -138.6 163.84 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 0.0 111.442 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -112.04 120.2 41.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.624 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.82 131.56 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 78.3 t90 -130.8 109.6 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.52 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 m -58.9 142.82 49.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.1 t -59.48 -46.7 88.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -123.95 -40.26 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.1 -172.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.642 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -120.15 29.33 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -107.96 148.89 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 p -148.68 145.3 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.23 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -126.55 136.84 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.94 111.16 13.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.765 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.61 135.09 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.3 t -74.19 135.77 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 mt -80.65 -31.19 36.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.058 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 34.5 t -57.46 -30.08 64.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.9 t -71.81 -24.24 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.216 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 43.9 mm -56.51 151.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.123 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.92 -44.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -130.06 171.35 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mp -135.81 123.55 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.721 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.22 159.51 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -156.96 167.29 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 17.4 p -67.51 154.17 93.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.2 157.93 59.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.562 2.175 . . . . 0.0 112.256 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.45 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -31.56 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -64.91 127.98 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.26 -39.07 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 111.39 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.2 122.29 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.403 ' HE3' ' CZ3' ' B' ' 458' ' ' TRP . 0.5 OUTLIER -142.78 165.75 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.404 HD11 ' CE2' ' A' ' 91' ' ' PHE . 8.2 mt -124.38 146.98 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.1 OUTLIER -135.92 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 2.9 mt -123.92 142.51 51.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.8 mm -106.54 140.51 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.2 161.17 22.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -81.22 -174.54 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.79 150.56 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.12 99.95 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.02 -30.77 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 76.0 p -59.51 -36.18 75.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.28 -61.38 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.98 -168.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -59.34 169.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp 60.94 81.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.96 -46.58 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -156.73 -74.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.72 -41.37 97.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.92 44.79 1.36 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.99 26.08 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.279 0.562 . . . . 0.0 111.231 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 46.61 90.18 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.294 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.9 p -112.17 146.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.42 136.06 21.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.53 61.71 3.57 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.507 2.138 . . . . 0.0 112.334 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -83.56 154.78 65.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.71 143.89 52.53 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.588 2.192 . . . . 0.0 112.305 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -107.78 134.31 50.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.63 129.87 56.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' A' ' 62' ' ' LEU . 3.3 p80 -124.02 135.79 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.32 47.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.024 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 14.0 m-85 -128.03 153.21 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.21 157.8 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.404 ' CE2' HD11 ' A' ' 60' ' ' LEU . 4.9 m-85 -156.23 135.08 11.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -108.96 33.02 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 48.5 m-80 -156.29 133.02 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -31.61 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -72.7 -43.63 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.9 t -63.14 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.7 mtp -60.26 -35.43 75.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.34 -31.55 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.85 -44.64 54.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.69 -56.58 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -59.18 -49.21 78.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.7 ttm -58.01 -41.1 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -73.09 -28.1 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.08 -47.18 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -56.1 -28.82 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -76.0 -43.28 45.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.408 HG23 ' CE2' ' A' ' 111' ' ' TYR . 13.9 mt -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 44.4 mt -82.62 -30.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -81.34 -30.78 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.419 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 4.7 ptm85 -71.94 -35.45 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CD1' ' HG3' ' A' ' 110' ' ' ARG . 20.5 m-85 -89.8 -11.95 40.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -59.48 -39.24 83.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -80.02 -39.93 28.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.54 -50.56 58.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.913 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.834 0.349 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 15.0 tp -176.17 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -95.72 -60.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -74.39 -30.43 61.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 9.7 t -58.69 -42.73 89.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.433 ' HB3' ' CE2' ' B' ' 462' ' ' PHE . 18.9 m95 -90.08 -23.66 21.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.64 -33.05 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.76 -56.06 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . 0.46 HD12 HG23 ' B' ' 461' ' ' ILE . 9.9 tt -58.35 -29.08 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' B' ' 458' ' ' TRP . 20.5 m-85 -88.9 -30.51 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.066 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -75.65 -31.57 59.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 12.1 p -84.23 86.58 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo . . . . . 0 N--CA 1.489 1.225 0 CA-C-O 120.918 0.299 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -68.26 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -71.21 106.34 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.8 p -156.41 167.57 30.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.61 142.32 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 130.06 44.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.43 115.43 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mp -100.0 119.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -102.95 114.03 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.293 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.81 -45.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.463 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -179.19 -32.38 0.01 OUTLIER 'General case' 0 C--O 1.231 0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 58.0 t -61.46 125.48 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 111.181 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -88.2 109.42 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.856 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -138.37 169.08 24.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.557 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mm -105.51 131.75 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -100.98 142.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 124.13 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.477 HG23 HD11 ' A' ' 18' ' ' ILE . 29.0 mt -89.14 134.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.71 119.97 39.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.11 26.86 7.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.54 -32.57 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.0 p -99.63 147.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.3 m -49.76 -65.86 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.682 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 22.0 Cg_endo -60.78 -15.4 37.54 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.872 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . 63.61 157.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -149.44 164.22 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.218 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.3 tt -121.04 119.2 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -97.77 134.17 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 40.3 t90 -133.19 109.63 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -112.98 135.03 54.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 140.12 57.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 46.3 p -60.23 -61.96 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -122.45 94.1 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.82 -120.68 0.84 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.17 37.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 118.73 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 p -139.6 137.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 39' ' ' THR . 15.2 t60 -134.81 150.57 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.404 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 1.4 m -118.06 141.18 48.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 p -137.83 122.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.67 132.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -80.46 -26.62 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.47 -36.59 71.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -59.25 -29.41 67.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.3 mm -62.42 153.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.035 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -123.13 -52.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -130.03 156.87 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.5 mt -120.05 142.26 49.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.64 160.4 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -154.78 167.26 30.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 16.0 p -69.75 149.39 96.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.79 165.56 32.18 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.554 2.17 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.49 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -66.38 -29.63 69.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -59.19 129.99 44.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.29 -32.98 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 125.36 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -81.86 125.94 31.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.449 ' CE ' ' CZ2' ' B' ' 458' ' ' TRP . 44.2 mtm -151.5 165.79 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.79 142.53 50.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.426 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 22.1 ttt180 -125.35 117.48 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.57 142.54 29.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.799 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 10.2 mm -117.56 140.54 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.64 -163.01 35.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -102.42 167.24 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.4 m -85.7 163.29 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 60.03 107.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -98.08 22.51 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m 51.99 28.95 5.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -157.04 -44.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.003 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mttt 64.56 143.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -83.49 147.21 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.985 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -154.62 118.59 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -50.49 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -177.03 -67.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -165.78 102.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.1 -29.5 0.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -171.72 111.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -77.56 117.81 19.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.22 134.78 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 10.9 p -65.76 136.45 95.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 64.8 Cg_endo -72.88 62.9 3.97 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.48 2.12 . . . . 0.0 112.274 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -54.6 157.21 5.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.71 139.03 46.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.586 2.191 . . . . 0.0 112.32 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -60.17 -177.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -170.22 103.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -116.88 119.42 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . 0.427 ' HE1' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -117.73 149.99 39.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -131.19 164.3 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.8 m -99.72 136.3 39.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PHE . . . . . 0.412 ' CE2' HG13 ' A' ' 100' ' ' ILE . 8.1 m-85 -128.91 137.87 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -107.08 33.67 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 -163.15 134.02 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.67 -31.26 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -76.16 -31.77 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -76.24 -49.12 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.3 ptm -60.19 -31.48 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -31.56 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -74.77 -25.06 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.412 HG13 ' CE2' ' A' ' 91' ' ' PHE . 31.6 mm -72.77 -52.0 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -63.59 -48.33 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.3 -35.61 74.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.0 m -84.39 -27.83 27.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 12.7 mt -80.07 -30.01 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -72.79 -30.67 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -71.37 -28.46 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.453 ' CG2' ' CE2' ' A' ' 111' ' ' TYR . 13.9 mt -71.04 -58.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 3.8 mt -59.41 -30.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 m -64.14 -25.67 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -88.08 -27.28 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.453 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 7.2 m-30 -89.8 -11.87 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.486 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -30.32 21.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -102.5 -31.46 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -101.63 30.57 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.906 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.7 tt -150.27 -58.5 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -60.28 -34.6 73.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.1 -36.84 80.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 35.3 t -83.74 -32.98 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 458' ' ' TRP . . . . . 0.449 ' CZ2' ' CE ' ' A' ' 59' ' ' MET . 0.0 OUTLIER -79.38 -28.65 41.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.79 -31.03 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 -42.46 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 10.1 tt -58.63 -26.73 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.327 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 462' ' ' PHE . . . . . 0.427 ' CZ ' ' HE1' ' A' ' 88' ' ' MET . 45.8 m-85 -104.44 -29.63 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.198 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.89 -42.26 98.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.15 176.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -161.27 156.48 24.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.47 150.87 19.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.24 105.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -121.38 126.15 48.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 12' ' ' VAL . 25.2 mt -104.3 111.24 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 28.8 t80 -109.96 134.99 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 tt0 58.12 43.07 21.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.3 30.06 18.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 8' ' ' ILE . 72.3 t -118.28 123.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.65 ' O ' HG22 ' A' ' 32' ' ' THR . 4.2 m -73.27 111.24 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.92 172.04 31.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -110.4 139.6 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.983 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.16 151.07 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.82 117.98 11.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.2 mt -89.5 134.62 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -116.03 105.54 12.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.63 31.4 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.19 -31.12 43.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG13 ' H ' ' A' ' 25' ' ' ALA . 3.5 p -111.81 167.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 m -53.01 -67.57 0.55 Allowed Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.653 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 41.4 Cg_endo -67.04 -10.42 28.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.437 2.092 . . . . 0.0 112.809 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.537 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 61.35 -172.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.992 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -162.59 131.44 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 16' ' ' ILE . 6.7 tt -109.07 108.83 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -97.72 143.51 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' O ' HG23 ' A' ' 37' ' ' VAL . 46.0 t90 -133.33 113.94 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -114.83 138.92 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.0 p -59.11 146.17 39.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 13' ' ' SER . 9.9 t -59.6 -41.56 90.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.61 -58.49 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.61 90.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -176.9 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.41 131.64 56.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 29' ' ' TRP . 11.8 p -148.67 136.29 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -129.28 148.93 51.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.91 126.56 41.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.1 p -138.87 124.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.665 ' CG1' HG23 ' A' ' 44' ' ' THR . 12.4 p -64.51 140.55 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 104' ' ' LEU . 52.7 mt -80.56 -27.89 37.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.598 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -55.28 -33.69 63.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.665 HG23 ' CG1' ' A' ' 41' ' ' VAL . 12.5 p -61.21 -28.9 69.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 62' ' ' LEU . 40.5 mm -61.12 152.65 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -124.77 -44.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -130.0 161.7 30.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.765 HD13 ' HG2' ' A' ' 105' ' ' GLN . 1.4 mt -126.41 133.95 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -152.51 141.09 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' CB ' HD12 ' A' ' 60' ' ' LEU . . . -146.99 167.11 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.524 HG22 HG12 ' B' ' 461' ' ' ILE . 19.2 p -73.35 153.93 90.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 51' ' ' THR . 50.8 Cg_endo -69.14 157.54 61.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.279 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.8 70.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -66.33 -30.81 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 t -60.12 125.26 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.18 -31.11 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 97.29 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.84 115.88 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.414 ' CE ' ' CH2' ' B' ' 458' ' ' TRP . 69.0 mtm -151.52 148.73 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -110.67 161.34 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 0.4 OUTLIER -140.69 139.6 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 104' ' ' LEU . 12.2 mt -124.61 132.0 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.533 HG23 ' HG2' ' A' ' 86' ' ' ARG . 19.6 mm -111.21 128.05 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.89 174.99 55.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 mttm . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.533 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.9 mtt180 -148.73 108.84 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -116.13 137.34 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -123.04 149.96 43.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.77 140.75 51.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.812 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.45 ' HG ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -92.49 126.56 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 97' ' ' MET . 53.9 m-85 -114.54 170.92 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 31.16 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -173.49 133.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.88 -31.85 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -67.85 -49.82 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.06 -48.93 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.623 ' HG2' HD13 ' A' ' 60' ' ' LEU . 8.6 ttp -60.19 -31.24 69.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -76.34 -31.11 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.51 -30.21 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 104' ' ' LEU . 31.6 mm -75.22 -52.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.4 ttmm -59.42 -46.32 89.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.5 ptp -58.22 -34.92 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.827 HG22 HD11 ' A' ' 107' ' ' ILE . 89.9 m -75.8 -45.6 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.63 -30.83 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.765 ' HG2' HD13 ' A' ' 48' ' ' LEU . 8.6 mm100 -69.11 -30.64 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -83.3 -34.94 25.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 104' ' ' LEU . 9.2 mt -64.91 -46.7 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -37.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.9 t -65.06 -27.93 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -86.57 -28.45 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 23' ' ' SER . 20.3 m-85 -96.08 -11.84 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.515 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.759 0.314 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.529 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.831 0.348 . . . . 0.0 111.062 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.47 -30.6 47.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.48 -42.67 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.529 HG22 ' O ' ' B' ' 458' ' ' TRP . 12.1 tt -58.98 -27.64 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 41.9 m-85 -101.26 -31.35 11.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.8 p -176.37 159.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.52 146.39 8.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.57 95.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.669 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -113.54 127.14 55.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 mp -97.26 116.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 38.3 t80 -118.06 137.55 52.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.86 32.42 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.63 36.73 8.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 8' ' ' ILE . 41.2 t -131.33 135.11 60.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -79.33 105.05 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.35 -173.83 13.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -120.0 122.84 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.867 HG12 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.15 124.38 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.56 129.91 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.813 HD12 ' CG2' ' A' ' 103' ' ' THR . 27.8 mt -89.19 134.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -105.29 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -103.45 30.03 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.35 -31.69 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.888 HG22 ' HD2' ' A' ' 24' ' ' PRO . 13.4 p -95.29 146.87 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -50.75 -66.58 0.63 Allowed Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.709 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.888 ' HD2' HG22 ' A' ' 22' ' ' VAL . 19.0 Cg_endo -59.97 -16.55 39.48 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.11 . . . . 0.0 112.695 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.61 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 64.05 148.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.65 156.2 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.867 HD21 HG12 ' A' ' 16' ' ' ILE . 6.9 tt -111.63 148.03 34.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.774 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 m -121.08 141.0 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.655 ' O ' HG23 ' A' ' 37' ' ' VAL . 34.6 t90 -134.03 112.99 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -117.37 133.27 56.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 t -59.08 141.1 54.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -62.02 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -116.66 81.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.69 -132.86 1.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -162.26 36.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -122.05 118.77 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.7 p -135.43 139.89 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -134.37 150.64 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.84 147.53 49.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -142.12 137.41 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.749 ' O ' HG22 ' A' ' 44' ' ' THR . 21.6 t -77.85 134.35 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 18' ' ' ILE . 31.1 mt -80.5 -28.32 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.454 ' H ' HG12 ' A' ' 41' ' ' VAL . 19.3 p -57.02 -40.78 77.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 41' ' ' VAL . 10.8 t -61.12 -24.86 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.0 mm -66.12 152.48 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 31.1 t0 -120.62 -54.77 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.52 166.4 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 105' ' ' GLN . 0.1 OUTLIER -134.92 148.78 50.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.52 132.09 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.679 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -126.53 167.22 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.9 p -84.5 156.14 62.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 165.51 30.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.551 2.167 . . . . 0.0 112.345 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.2 49.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -32.08 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.9 m -79.05 132.11 36.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.18 -43.49 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.481 ' HB3' HD11 ' B' ' 461' ' ' ILE . 19.7 mmtp -67.49 85.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.95 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.435 ' HB2' ' CE1' ' B' ' 462' ' ' PHE . 1.7 mpp? -146.8 165.68 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 50' ' ' ALA . 5.6 mt -119.78 140.69 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.6 ttt180 -128.79 140.12 51.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.791 HD21 HD13 ' A' ' 104' ' ' LEU . 13.4 mt -121.9 142.61 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.739 HG23 ' HG2' ' A' ' 86' ' ' ARG . 23.0 mm -118.3 140.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.37 157.01 17.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.752 0.311 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 63' ' ' ILE . 35.1 mtt180 -152.33 121.45 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -118.59 155.72 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.467 ' HE3' ' HE2' ' B' ' 462' ' ' PHE . 4.3 ppp? -134.6 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HE1' HD12 ' A' ' 62' ' ' LEU . 12.2 m-85 -129.68 164.41 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.1 142.64 35.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 28.1 m-85 -140.2 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -144.19 31.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.582 ' HB3' HG23 ' A' ' 96' ' ' VAL . 8.1 m120 -144.76 115.31 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -68.3 -30.23 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.3 m -83.42 -29.37 28.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.5 t -86.59 -37.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -57.0 -32.0 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.07 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.29 -29.82 38.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -67.56 -30.08 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.531 HG22 HD11 ' A' ' 104' ' ' LEU . 29.4 mm -74.36 -51.53 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 104' ' ' LEU . 24.3 ttmt -59.68 -46.57 88.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.8 ptp -59.09 -29.69 67.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.813 ' CG2' HD12 ' A' ' 18' ' ' ILE . 59.9 m -80.75 -25.52 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.791 HD13 HD21 ' A' ' 62' ' ' LEU . 6.0 mt -84.28 -27.4 27.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 48' ' ' LEU . 14.0 pt20 -81.01 -30.72 34.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -72.48 -41.24 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.1 -49.18 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 104' ' ' LEU . 32.7 mt -65.55 -46.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.8 p -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -69.43 -37.93 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -89.79 -11.91 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.364 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.574 ' HA ' HG22 ' B' ' 461' ' ' ILE . 9.5 m95 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.607 0.242 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.5 53.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -100.08 -6.07 26.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' B' ' 458' ' ' TRP . 10.0 tt -100.05 -44.82 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.49 ' N ' HG23 ' B' ' 461' ' ' ILE . 44.6 m-85 -81.57 -57.24 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.6 m80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 p -170.42 161.52 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.546 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -168.69 155.48 26.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.577 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 96.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 111.208 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -113.57 136.54 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 12' ' ' VAL . 21.3 mt -114.25 125.63 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.405 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 3.0 t80 -123.83 123.3 40.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 mt-10 62.7 49.21 3.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.077 0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt 56.42 33.09 21.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.198 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 8' ' ' ILE . 92.8 t -119.51 118.17 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 111.062 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -74.96 108.58 7.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.68 179.06 23.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.6 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mm -113.94 137.77 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.984 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 tt -101.13 150.01 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.7 119.48 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.573 HG23 HD11 ' A' ' 42' ' ' LEU . 28.8 mt -89.16 134.54 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -102.19 104.29 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.57 25.54 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -96.86 -30.88 12.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.723 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.944 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.3 p -101.99 147.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.639 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -43.26 -68.87 0.24 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.101 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' A' ' 22' ' ' VAL . 55.6 Cg_endo -69.2 81.31 0.68 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.269 1.98 . . . . 0.0 111.506 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.66 130.79 4.05 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -121.79 152.29 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.984 HD21 HD11 ' A' ' 16' ' ' ILE . 5.9 tt -118.47 115.47 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -98.43 148.01 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.599 ' O ' HG23 ' A' ' 37' ' ' VAL . 59.7 t90 -139.7 110.34 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -109.29 131.56 54.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -57.92 162.26 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -57.56 -39.91 77.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -91.24 -31.23 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.81 34.68 5.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.06 -37.21 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -130.84 134.04 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.5 p -148.74 129.15 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -129.77 150.54 51.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 144.79 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.11 137.06 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 44' ' ' THR . 23.6 t -74.87 119.27 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.901 HD22 HD21 ' A' ' 104' ' ' LEU . 60.6 mt -67.98 -28.88 67.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -56.51 -30.42 62.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.53 HG23 ' HB ' ' A' ' 41' ' ' VAL . 45.6 p -66.0 -29.32 69.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 46' ' ' ASP . 38.1 mm -59.98 157.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 45' ' ' ILE . 36.5 t0 -124.59 -54.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -130.06 161.43 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 104' ' ' LEU . 3.6 mp -121.97 145.4 48.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -152.44 143.7 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.85 167.15 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.658 HG22 HG12 ' B' ' 461' ' ' ILE . 17.2 p -70.19 149.74 96.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.22 165.43 31.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.628 2.219 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -31.49 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -67.85 -32.38 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.4 t -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.1 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -82.16 106.73 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.442 ' HE3' ' N ' ' A' ' 93' ' ' ASN . 19.3 mtm -86.63 113.44 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HE3' ' CZ ' ' B' ' 462' ' ' PHE . 24.8 mtm -147.59 152.96 38.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 101' ' ' LYS . 1.2 tp -110.65 159.2 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.0 OUTLIER -145.8 143.5 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.585 ' O ' HD13 ' A' ' 63' ' ' ILE . 8.5 mt -124.54 142.5 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.642 HD12 ' HG3' ' A' ' 86' ' ' ARG . 7.8 mm -123.46 112.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.27 174.27 55.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.541 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.642 ' HG3' HD12 ' A' ' 63' ' ' ILE . 5.5 mpt_? -141.18 105.49 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -113.54 130.14 56.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.3 ptm -116.2 139.27 50.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -124.25 163.85 20.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.82 122.85 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.22 170.89 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -127.63 30.96 5.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.442 ' N ' ' HE3' ' A' ' 58' ' ' MET . 13.4 m-20 -172.42 142.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -82.71 -31.6 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -72.04 -43.36 65.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.24 -51.77 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.1 ptm -60.17 -31.14 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.94 -31.48 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 102' ' ' MET . 3.0 m-20 -80.06 -24.79 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.641 HG22 HD12 ' A' ' 104' ' ' LEU . 30.0 mm -76.64 -52.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.527 ' HB2' HD11 ' A' ' 60' ' ' LEU . 15.7 ttmt -62.25 -45.39 93.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -60.2 -31.43 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.3 m -84.21 -26.46 28.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.901 HD21 HD22 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -80.73 -29.4 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.577 ' HG2' HD13 ' A' ' 48' ' ' LEU . 7.9 mt-30 -74.98 -40.0 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.67 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 104' ' ' LEU . 15.4 mt -68.38 -58.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.95 -32.07 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -76.3 -31.49 58.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -72.64 -31.4 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.22 10.88 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.7 mttm . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.858 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.487 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.811 0.338 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.68 -32.04 59.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -70.81 -45.41 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.658 HG12 HG22 ' A' ' 51' ' ' THR . 11.9 tt -59.05 -29.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 39.7 m-85 -102.99 1.8 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.454 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.387 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.513 ' HD2' HG21 ' A' ' 103' ' ' THR . 78.4 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 p -176.71 131.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.15 139.34 7.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.33 102.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.64 133.43 55.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -99.04 115.6 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 15.2 t80 -119.23 134.84 54.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 62.53 33.15 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? 64.32 35.34 9.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 8' ' ' ILE . 39.2 t -127.87 136.6 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 110.57 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.34 168.27 29.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mm -105.58 134.66 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 111.061 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.948 HD11 HD21 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.09 151.11 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.68 129.02 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.599 HG23 HD12 ' A' ' 42' ' ' LEU . 30.0 mt -98.97 135.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -102.77 97.55 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -84.6 -23.95 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -53.53 -30.96 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.77 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -90.84 146.81 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -57.81 -65.83 1.63 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.656 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.77 ' HD2' HG22 ' A' ' 22' ' ' VAL . 20.6 Cg_endo -60.99 -15.36 38.51 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.801 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . 62.87 150.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -144.82 146.98 32.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.948 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -116.22 107.96 15.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -98.02 136.76 37.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.66 ' O ' HG23 ' A' ' 37' ' ' VAL . 50.2 t90 -128.39 117.53 21.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 137.28 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 t -59.01 157.79 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -58.93 -31.42 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -96.09 -44.24 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.21 46.79 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.62 -42.32 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -127.14 125.23 40.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.6 p -139.39 137.38 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -144.0 150.64 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 m -127.14 146.09 50.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.05 146.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.797 ' O ' HG22 ' A' ' 44' ' ' THR . 21.5 t -73.89 128.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 104' ' ' LEU . 18.9 mt -80.62 -29.83 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -58.52 -39.66 80.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 41' ' ' VAL . 13.3 t -59.23 -27.39 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.57 151.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -124.92 -50.26 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -130.1 132.91 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.571 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.715 HD21 ' HG2' ' A' ' 105' ' ' GLN . 4.0 pp -120.84 136.24 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.0 164.2 21.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.73 167.18 29.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.5 p -87.42 150.77 49.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.42 164.47 35.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.579 2.186 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.45 68.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -66.39 -31.3 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.3 t -60.18 127.29 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.11 -31.16 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 117.79 34.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -90.93 118.86 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mtm -145.42 164.83 30.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 61' ' ' ARG . 1.3 tt -132.18 160.23 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.498 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.74 142.5 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 104' ' ' LEU . 11.2 mt -124.68 142.38 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG23 ' HG2' ' A' ' 86' ' ' ARG . 10.9 mm -117.45 111.11 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.67 -174.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.589 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.6 mttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HG2' HG23 ' A' ' 63' ' ' ILE . 58.5 mtt180 -150.03 117.96 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -120.15 140.13 51.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.3 ptm -121.06 122.4 40.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 17.7 m-85 -110.5 164.46 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.51 157.37 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -145.54 147.71 32.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.15 -31.66 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.53 145.11 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.1 m -60.09 -47.82 84.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.91 -41.26 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -60.29 -32.68 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -75.5 -31.73 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.65 -39.96 94.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.646 HG22 ' CD1' ' A' ' 104' ' ' LEU . 31.6 mm -68.72 -55.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.5 ttmm -58.17 -49.16 77.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.5 -52.35 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 107' ' ' ILE . 87.6 m -61.11 -40.73 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 107' ' ' ILE . 22.0 mt -59.94 -46.38 89.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.715 ' HG2' HD21 ' A' ' 48' ' ' LEU . 3.8 mm100 -59.46 -30.67 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -76.6 -42.26 43.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 104' ' ' LEU . 6.5 mt -62.39 -39.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.69 ' CD1' HD23 ' A' ' 48' ' ' LEU . 18.1 mt -72.68 -36.9 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -67.85 -31.97 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.14 -41.19 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -93.52 9.78 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.89 -27.69 36.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.058 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -39.77 20.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.124 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 9.5 tt -56.69 -28.65 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.374 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 48.9 m-85 -102.18 -29.01 11.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.11 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 103' ' ' THR . 1.8 m80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -177.21 140.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.446 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -157.62 146.4 13.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.04 118.17 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.054 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.23 134.64 42.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mp -102.16 129.9 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 89' ' ' PHE . 10.9 t80 -130.46 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 tt0 61.0 43.9 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 60.09 35.47 21.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 8' ' ' ILE . 48.4 t -127.12 132.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 32' ' ' THR . 77.6 p -86.15 119.01 25.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.82 172.33 33.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.6 135.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.669 ' CD1' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.0 129.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.9 124.27 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.705 HG12 HD23 ' A' ' 27' ' ' LEU . 22.8 mt -89.82 136.75 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -103.34 109.44 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.47 -25.06 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.39 -30.97 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.892 0.377 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.852 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.4 p -97.83 145.62 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.76 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.521 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER -58.24 -67.54 0.91 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 22' ' ' VAL . 86.0 Cg_exo -43.91 -28.89 2.29 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.336 2.024 . . . . 0.0 112.579 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.52 121.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.744 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.74 146.24 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.705 HD23 HG12 ' A' ' 18' ' ' ILE . 3.4 tm? -108.49 111.03 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.436 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.411 HG23 ' OG1' ' A' ' 39' ' ' THR . 0.5 OUTLIER -97.72 148.9 22.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.182 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.477 ' O ' HG23 ' A' ' 37' ' ' VAL . 60.6 t90 -139.75 107.54 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.574 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 132.52 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.3 p -59.42 156.3 13.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 13' ' ' SER . 41.3 p -57.7 -38.9 76.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -30.86 45.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 39.15 5.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.6 -32.22 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -125.64 126.31 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.0 p -148.75 143.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -145.1 150.61 37.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' HG23 ' A' ' 28' ' ' THR . 29.7 m -117.96 145.19 44.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.3 p -142.15 123.75 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.683 ' HB ' HG23 ' A' ' 44' ' ' THR . 39.0 t -61.06 119.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.721 ' CD1' HD13 ' A' ' 107' ' ' ILE . 33.9 mt -64.02 -28.95 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.408 ' H ' HG12 ' A' ' 41' ' ' VAL . 26.2 t -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.683 HG23 ' HB ' ' A' ' 41' ' ' VAL . 33.3 p -66.65 -27.17 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.984 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.704 HD12 HD23 ' A' ' 62' ' ' LEU . 35.3 mm -57.89 154.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.052 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 45' ' ' ILE . 8.9 t0 -115.63 -54.83 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -139.77 171.3 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.981 HD11 HD12 ' A' ' 108' ' ' ILE . 4.9 mp -125.36 140.76 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -152.6 139.43 18.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.014 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.722 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -142.49 167.22 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.483 HG22 HG12 ' B' ' 461' ' ' ILE . 16.2 p -79.18 154.24 77.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 151.58 68.08 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.534 2.156 . . . . 0.0 112.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -28.78 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 m -66.36 -30.2 70.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -59.23 150.44 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.19 -47.63 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 127.38 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.7 mtm -96.97 113.75 25.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 77.5 mtm -151.41 165.69 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.722 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 2.8 tt -135.31 140.38 45.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HB2' ' CG ' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -116.98 112.0 20.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -90.73 142.53 27.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.958 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' CG ' ' A' ' 86' ' ' ARG . 30.5 mm -111.46 140.54 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.37 163.32 16.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.834 0.35 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.477 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -165.99 101.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -121.13 129.12 53.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 149.87 32.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 9' ' ' PHE . 88.0 m-85 -122.6 162.57 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -106.66 153.09 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -150.45 169.06 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -137.23 31.4 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.658 ' OD1' HG23 ' A' ' 96' ' ' VAL . 1.4 t-20 -154.01 141.26 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -31.27 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.2 m -80.17 -45.96 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.658 HG23 ' OD1' ' A' ' 93' ' ' ASN . 26.4 t -62.59 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.81 -31.57 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.6 -31.92 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.62 -41.73 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.775 HG22 HD13 ' A' ' 104' ' ' LEU . 28.2 mm -68.77 -54.65 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -58.85 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.3 ttp -58.82 -43.87 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 3' ' ' HIS . 87.1 m -71.47 -28.25 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.782 ' HA ' HD12 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -77.94 -29.33 49.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.894 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.752 ' HG2' HD13 ' A' ' 48' ' ' LEU . 11.2 mt-30 -72.03 -30.34 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -73.93 -28.7 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.6 mt -72.85 -39.98 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.981 HD12 HD11 ' A' ' 48' ' ' LEU . 25.7 mt -75.32 -37.44 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -65.27 -31.34 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -74.71 -31.91 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -101.06 10.3 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.322 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.463 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.44 -28.76 46.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -86.74 -42.29 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.483 HG12 HG22 ' A' ' 51' ' ' THR . 9.7 tt -56.09 -29.04 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.295 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.45 ' CG ' ' HB2' ' A' ' 61' ' ' ARG . 37.2 m-85 -105.64 12.3 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.393 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.912 0.387 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.9 p -165.26 148.35 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.05 143.15 9.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.49 100.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.04 137.24 51.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mp -98.53 137.37 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 13.0 t80 -135.83 116.69 14.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.7 mt-10 62.96 51.73 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.67 30.19 18.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.158 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 8' ' ' ILE . 58.3 t -121.54 127.63 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.2 108.82 17.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.4 169.73 25.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 mm -108.23 135.24 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.011 HD11 HD21 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -101.05 144.87 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 119.68 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.8 mt -89.37 136.13 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -106.37 110.82 23.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.48 29.13 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.31 -32.19 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.916 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -104.35 148.39 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.84 -64.97 0.9 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' A' ' 22' ' ' VAL . 18.0 Cg_endo -59.22 -17.74 40.86 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.585 2.19 . . . . 0.0 112.581 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.691 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 62.52 169.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.978 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG2' HG22 ' A' ' 41' ' ' VAL . 41.4 mt-10 -156.66 146.08 20.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.011 HD21 HD11 ' A' ' 16' ' ' ILE . 6.7 tt -113.63 112.61 23.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -97.78 147.97 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.695 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.4 t90 -137.77 107.58 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -106.13 125.53 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -57.68 160.87 4.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -58.15 -32.12 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -96.85 -38.97 9.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.95 45.5 1.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.7 -40.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -119.27 121.22 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 29' ' ' TRP . 14.5 p -147.39 139.31 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 150.64 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.27 108.97 17.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.52 129.8 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.866 ' O ' HG22 ' A' ' 44' ' ' THR . 32.7 t -75.46 120.04 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.941 HD22 HD21 ' A' ' 104' ' ' LEU . 68.3 mt -55.87 -25.46 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.617 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -56.23 -31.6 63.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.866 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.5 t -65.51 -27.89 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.26 152.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -124.89 -51.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CG ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.06 171.41 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 105' ' ' GLN . 3.6 mt -128.04 125.01 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -143.0 136.01 28.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.954 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -133.27 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.552 HG22 HG12 ' B' ' 461' ' ' ILE . 18.1 p -72.42 153.42 91.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 152.32 68.81 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.98 -28.88 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -58.7 135.38 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.09 -37.88 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 137.64 41.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -101.88 125.52 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.2 mtm -150.72 165.67 32.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 50' ' ' ALA . 1.8 mt -127.84 153.35 46.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.3 ttt180 -138.1 143.8 40.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 HD23 ' A' ' 48' ' ' LEU . 4.9 mt -124.62 140.21 53.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' HD3' ' A' ' 86' ' ' ARG . 42.4 mm -105.28 123.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 170.28 18.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.874 0.369 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.638 ' HD3' HD12 ' A' ' 63' ' ' ILE . 11.7 mtt-85 -152.31 115.54 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -101.72 121.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.6 ptm -110.92 141.81 43.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -126.96 164.33 21.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -113.57 154.84 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -146.89 170.59 16.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -131.87 31.06 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.597 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.1 m120 -171.0 127.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -72.94 -31.48 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.8 m -76.16 -34.97 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.597 HG23 ' HB3' ' A' ' 93' ' ' ASN . 22.0 t -76.16 -52.36 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.673 ' HB2' HD12 ' A' ' 60' ' ' LEU . 2.2 ppp? -60.32 -33.81 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -31.36 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.52 -28.09 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.8 mm -73.52 -51.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.17 -47.36 85.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.3 ptp -58.55 -31.21 67.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.4 m -83.68 -26.08 30.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.941 HD21 HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -81.74 -27.38 33.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.648 ' HB3' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -78.1 -30.53 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -73.29 -29.62 62.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 42' ' ' LEU . 14.3 mt -76.32 -41.88 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.4 mt -73.85 -33.4 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.3 p -62.5 -28.49 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -89.4 -27.14 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 14.9 m-30 -95.64 -11.91 26.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.7 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 0.0 111.012 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.752 0.311 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -83.45 -27.19 29.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -92.4 -34.75 14.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 51' ' ' THR . 11.7 tt -58.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.478 ' N ' HG23 ' B' ' 461' ' ' ILE . 64.2 m-85 -91.59 12.19 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.398 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.1 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m 60.17 159.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.11 164.87 31.54 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.85 121.46 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.0 mp -101.85 117.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 14.9 t80 -121.53 134.72 55.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.18 35.17 15.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.95 31.66 13.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 8' ' ' ILE . 46.3 t -125.69 133.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.8 p -81.58 117.08 21.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -153.09 168.58 31.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.8 mm -105.54 136.56 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.037 HD11 HD21 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.14 134.59 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.046 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.67 115.89 22.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -89.11 133.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -109.05 97.46 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -105.92 27.73 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.11 -30.84 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.734 HG23 ' H ' ' A' ' 25' ' ' ALA . 10.8 m -83.85 -178.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.06 -60.86 2.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.348 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 62.5 Cg_endo -73.33 -33.13 7.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.532 2.154 . . . . 0.0 112.747 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.734 ' H ' HG23 ' A' ' 22' ' ' VAL . . . 64.18 132.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG2' HG22 ' A' ' 41' ' ' VAL . 32.0 mt-10 -132.51 169.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 111.441 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.037 HD21 HD11 ' A' ' 16' ' ' ILE . 5.7 tt -123.82 116.0 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.552 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.409 ' HA ' HG23 ' A' ' 39' ' ' THR . 2.6 m -97.71 150.72 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.123 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.2 t90 -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -111.06 136.96 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 t -59.39 144.25 47.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' HA2' ' A' ' 14' ' ' GLY . 17.6 p -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -168.58 76.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.97 -111.47 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -174.42 36.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 119.79 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.2 p -132.95 139.27 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -132.83 147.31 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -127.91 147.84 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -141.52 120.9 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.887 ' O ' HG22 ' A' ' 44' ' ' THR . 42.1 t -76.75 103.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.925 HD22 HD21 ' A' ' 104' ' ' LEU . 68.7 mt -55.38 -23.74 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -42.95 89.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.887 HG22 ' O ' ' A' ' 41' ' ' VAL . 12.9 t -71.11 -27.38 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.19 151.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -122.41 -44.0 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -129.99 166.7 19.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.748 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.2 pp -148.51 115.04 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.86 164.14 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.985 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -148.46 146.48 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 59' ' ' MET . 29.6 p -59.52 149.28 71.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.19 158.23 57.06 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.537 2.158 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.11 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -66.35 -30.23 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -59.44 129.03 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.89 -30.99 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 118.75 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -84.62 122.44 29.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.477 ' C ' HD12 ' A' ' 60' ' ' LEU . 3.4 mtm -142.26 152.28 42.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 10.7 mp -123.64 152.34 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.548 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -145.87 152.09 38.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.649 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -121.68 142.48 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.477 HD11 ' NE ' ' A' ' 61' ' ' ARG . 21.7 mm -98.44 139.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.79 163.96 48.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.795 0.331 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' HG3' HG23 ' A' ' 63' ' ' ILE . 2.5 mpt_? -131.34 107.09 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -101.82 143.24 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.781 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.76 139.12 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.57 163.16 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.82 138.53 45.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.84 170.9 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -138.33 34.31 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.63 ' HB3' HG23 ' A' ' 96' ' ' VAL . 15.3 m-20 -167.67 141.29 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -82.42 -38.14 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.32 -31.09 62.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 93' ' ' ASN . 24.8 t -74.25 -36.7 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 60' ' ' LEU . 5.8 ptm -77.98 -31.29 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.37 -31.13 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -74.51 -30.35 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mm -75.47 -51.13 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.748 ' HG3' HD13 ' A' ' 48' ' ' LEU . 6.2 ttpp -60.24 -45.92 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -58.73 -31.5 68.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.975 HG22 HD11 ' A' ' 107' ' ' ILE . 81.1 m -72.46 -52.93 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.925 HD21 HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -58.63 -41.08 85.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.666 ' HG2' HD11 ' A' ' 48' ' ' LEU . 4.7 mm100 -58.48 -30.62 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -86.73 -43.31 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 103' ' ' THR . 13.7 mt -63.77 -44.32 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.039 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.524 HD11 HD23 ' A' ' 104' ' ' LEU . 16.1 mt -71.47 -30.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -82.84 -31.03 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 mtp-105 -71.87 -34.47 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 22.9 m-85 -91.08 10.75 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.337 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mttm . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.667 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.762 0.315 . . . . 0.0 111.105 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.6 -28.07 56.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -46.48 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.667 HG22 ' O ' ' B' ' 458' ' ' TRP . 11.5 tt -56.86 -25.06 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.45 ' CD2' HG23 ' B' ' 461' ' ' ILE . 40.1 m-85 -100.46 -30.56 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.7 p -176.85 140.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.02 135.61 3.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -62.21 101.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.672 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -113.61 142.66 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 12' ' ' VAL . 4.0 mp -107.77 124.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 4.7 t80 -124.0 128.87 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.2 tt0 59.62 43.98 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.32 30.39 19.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.048 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 8' ' ' ILE . 57.1 t -122.33 129.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.29 120.0 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.64 170.55 33.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.63 136.03 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.94 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 tt -101.1 151.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.73 127.68 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mt -97.31 135.53 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -116.96 115.12 24.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.6 29.69 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.95 -31.98 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.787 HG22 ' HD2' ' A' ' 24' ' ' PRO . 7.8 p -120.17 151.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.527 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -46.46 -59.63 4.76 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.761 -179.329 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.787 ' HD2' HG22 ' A' ' 22' ' ' VAL . 33.3 Cg_exo -57.74 -18.45 33.82 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.359 2.04 . . . . 0.0 112.533 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 41' ' ' VAL . . . 68.37 174.94 0.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' OE1' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -153.45 132.96 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.193 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -114.76 107.96 16.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.432 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.481 ' HA ' HG23 ' A' ' 39' ' ' THR . 2.0 m -98.14 136.87 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.695 ' O ' HG23 ' A' ' 37' ' ' VAL . 70.2 t90 -129.26 107.49 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.687 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -107.98 140.38 41.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.7 p -58.17 157.31 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.9 -61.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.61 62.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -132.1 -60.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -102.15 136.29 42.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.9 p -148.75 139.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -137.88 144.78 41.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -127.93 138.77 52.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 HD22 ' A' ' 27' ' ' LEU . 10.6 p -142.14 130.23 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 44' ' ' THR . 28.1 t -68.24 118.78 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.518 HD22 ' HG ' ' A' ' 104' ' ' LEU . 66.7 mt -58.29 -23.7 57.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.609 ' H ' HG12 ' A' ' 41' ' ' VAL . 1.1 t -56.86 -31.62 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.141 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.874 HG22 ' O ' ' A' ' 41' ' ' VAL . 15.0 t -66.3 -29.18 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.004 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 62' ' ' LEU . 42.3 mm -59.9 151.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -124.87 -49.94 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -130.04 162.49 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.853 HD11 HD12 ' A' ' 108' ' ' ILE . 5.5 mp -123.16 141.94 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -152.61 130.9 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -138.9 167.23 22.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 HG12 ' B' ' 461' ' ' ILE . 14.3 p -75.56 154.18 85.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.81 160.54 49.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.571 2.18 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.55 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.36 -31.54 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.6 p -61.86 142.63 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -80.81 -51.87 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -76.28 93.24 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.65 113.33 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mtm -147.27 165.76 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.69 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -136.53 164.5 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' N ' HD23 ' A' ' 60' ' ' LEU . 13.8 ttp85 -145.78 112.49 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.609 HD12 ' HE2' ' A' ' 89' ' ' PHE . 6.8 mt -92.85 142.02 27.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 86' ' ' ARG . 6.3 mm -115.5 107.39 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 169.22 40.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.557 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HG2' HD12 ' A' ' 63' ' ' ILE . 87.8 mtt180 -148.92 99.52 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -115.4 154.5 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.436 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.0 ppp? -136.32 150.06 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.609 ' HE2' HD12 ' A' ' 62' ' ' LEU . 74.0 m-85 -136.16 126.0 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.437 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -82.13 153.13 26.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.672 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 14.5 m-85 -143.51 166.62 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -130.7 34.33 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -167.41 128.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -68.59 -40.97 80.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -67.25 -39.61 86.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.3 t -73.58 -38.85 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.018 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.7 ttp -71.84 -33.64 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -31.72 71.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -66.28 -37.54 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.643 HG22 HD13 ' A' ' 104' ' ' LEU . 30.4 mm -68.79 -54.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -58.79 -42.1 88.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.4 ttp -64.95 -44.48 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.888 HG22 HD11 ' A' ' 107' ' ' ILE . 84.4 m -65.63 -48.82 70.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.762 ' HA ' HD12 ' A' ' 107' ' ' ILE . 4.8 mp -60.14 -41.85 93.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.662 ' HG2' HD13 ' A' ' 48' ' ' LEU . 15.0 mt-30 -59.41 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -81.16 -40.67 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.888 HD11 HG22 ' A' ' 103' ' ' THR . 7.1 mt -64.42 -42.77 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 48' ' ' LEU . 17.0 mt -72.51 -40.59 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 m -69.87 -31.51 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.55 -31.68 72.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 107' ' ' ILE . 4.8 m-85 -97.72 9.16 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.367 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.9 mttp . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.473 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.777 0.322 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.73 -33.83 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.02 -44.07 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.48 HG12 HG22 ' A' ' 51' ' ' THR . 10.4 tt -64.02 -26.0 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.425 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.437 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 28.8 m-85 -99.29 -28.71 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.236 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.447 ' CG ' HG21 ' A' ' 103' ' ' THR . 14.8 m-70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -163.57 163.57 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.425 ' HA3' HG13 ' A' ' 96' ' ' VAL . . . -173.92 156.92 24.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.45 107.25 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.787 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -127.39 156.29 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.005 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.78 HG23 ' O ' ' A' ' 12' ' ' VAL . 26.1 mt -130.64 115.69 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.482 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.5 t80 -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 60.98 30.91 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.95 37.83 9.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.034 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 8' ' ' ILE . 55.7 t -128.37 129.37 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.426 ' C ' HG23 ' A' ' 32' ' ' THR . 10.2 m -75.35 121.69 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.06 -177.23 34.93 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.0 mm -112.74 128.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.898 HG12 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.12 125.79 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.59 136.95 43.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.536 HG21 HD11 ' A' ' 107' ' ' ILE . 29.1 mt -89.18 135.03 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -107.55 112.22 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.98 26.52 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -97.78 22.66 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.896 HG22 ' HD2' ' A' ' 24' ' ' PRO . 9.6 p -154.23 146.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -44.29 -69.57 0.22 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.892 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.896 ' HD2' HG22 ' A' ' 22' ' ' VAL . 56.6 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.119 1.88 . . . . 0.0 111.469 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.07 118.97 1.08 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.732 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -121.7 147.57 45.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.094 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.898 HD21 HG12 ' A' ' 16' ' ' ILE . 7.3 tt -111.79 130.2 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -99.04 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.686 ' O ' HG23 ' A' ' 37' ' ' VAL . 29.1 t90 -142.53 112.28 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.729 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -115.6 132.35 56.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 p -58.1 154.67 12.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 13' ' ' SER . 43.6 p -57.64 -48.49 79.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.96 -31.62 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.21 44.08 4.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -115.58 -38.78 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.19 135.97 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.8 p -148.05 127.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -127.7 150.57 49.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 147.77 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.8 p -135.8 112.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.486 ' HB ' HG23 ' A' ' 44' ' ' THR . 21.3 t -64.72 104.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.06 HD22 HD21 ' A' ' 104' ' ' LEU . 48.6 mt -60.39 -28.04 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -56.57 -30.48 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.486 HG23 ' HB ' ' A' ' 41' ' ' VAL . 43.8 p -68.81 -28.76 67.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 46' ' ' ASP . 37.4 mm -61.48 154.55 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 45' ' ' ILE . 17.1 t0 -119.59 -49.76 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.06 158.81 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.82 HD13 ' HG3' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -108.44 140.87 41.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -143.53 143.65 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.936 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -151.47 162.34 41.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 HG12 ' B' ' 461' ' ' ILE . 16.3 p -69.15 154.07 95.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 161.81 44.46 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.587 2.192 . . . . 0.0 112.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -66.38 -32.03 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 123.16 17.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.01 -32.17 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 110.31 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtm -86.43 118.35 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -141.89 162.71 34.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 50' ' ' ALA . 13.8 tp -129.62 147.31 51.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.2 ttt180 -145.85 133.18 20.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.634 ' N ' HD22 ' A' ' 62' ' ' LEU . 2.1 mm? -104.1 142.51 34.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.575 HD12 ' HG2' ' A' ' 86' ' ' ARG . 23.7 mm -107.24 99.91 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.96 172.74 6.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.344 . . . . 0.0 110.865 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.575 ' HG2' HD12 ' A' ' 63' ' ' ILE . 84.5 mtt180 -144.14 123.38 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -115.01 117.29 30.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.426 ' HE1' ' HE1' ' B' ' 458' ' ' TRP . 5.0 ppp? -101.52 149.46 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 64.2 m-85 -131.63 154.06 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.92 128.93 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -127.28 170.53 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -141.54 31.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.589 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.3 m120 -169.91 123.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -37.46 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 m -61.41 -33.06 73.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.4 t -74.12 -50.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -60.38 -32.71 71.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -63.31 -36.89 85.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -72.76 -39.77 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.903 HG22 HD12 ' A' ' 104' ' ' LEU . 29.8 mm -69.69 -54.83 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.4 ttmt -57.97 -49.06 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.61 -50.95 71.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.447 HG21 ' CG ' ' A' ' 3' ' ' HIS . 86.2 m -62.63 -41.48 99.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 1.06 HD21 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -59.34 -40.54 86.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.82 ' HG3' HD13 ' A' ' 48' ' ' LEU . 23.4 mt-30 -61.09 -31.07 70.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -72.32 -31.21 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.536 HD11 HG21 ' A' ' 18' ' ' ILE . 34.4 mt -74.12 -34.93 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.748 HD12 HD12 ' A' ' 48' ' ' LEU . 27.1 mt -77.28 -41.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 p -67.76 -31.4 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -71.56 -32.13 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 107' ' ' ILE . 23.3 m-85 -91.87 11.25 25.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.305 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.518 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.769 0.319 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.22 -38.81 85.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.99 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 458' ' ' TRP . 11.4 tt -60.88 -29.33 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 41.8 m-85 -103.89 12.1 34.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.363 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.2 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -156.74 141.47 16.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.53 164.0 36.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.541 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.57 123.85 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.628 ' N ' HD12 ' A' ' 8' ' ' ILE . 2.4 mp -109.98 129.31 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 5.8 t80 -103.04 101.75 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 8.3 pt-20 40.16 22.0 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' GLU . 6.0 mttt 158.58 -62.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.7 t -69.73 132.2 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.6 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -110.1 114.67 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.5 -169.58 11.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -108.66 130.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.334 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.927 HD11 HD21 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -101.01 151.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 126.15 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 42' ' ' LEU . 29.7 mt -101.24 134.31 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -104.11 97.86 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' A' ' 103' ' ' THR . 4.2 mt-10 -82.44 -22.63 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.52 -30.0 28.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.823 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -93.89 146.66 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.5 m -56.42 -66.08 1.32 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.663 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.823 ' HD2' HG22 ' A' ' 22' ' ' VAL . 23.2 Cg_endo -61.56 -14.31 34.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 112.77 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . 63.76 154.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.88 137.34 26.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.927 HD21 HD11 ' A' ' 16' ' ' ILE . 6.6 tt -114.06 107.94 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -100.93 135.91 41.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.074 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.754 ' O ' HG23 ' A' ' 37' ' ' VAL . 60.1 t90 -123.65 110.78 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -106.52 138.5 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.54 144.3 57.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 m -60.12 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -148.45 83.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.41 -127.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -160.18 31.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.74 118.91 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.0 p -141.22 137.84 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -130.52 148.44 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -127.93 132.16 49.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.5 p -142.11 122.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.719 ' HB ' HG23 ' A' ' 44' ' ' THR . 25.5 t -60.33 126.54 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.601 HD22 ' CG ' ' A' ' 104' ' ' LEU . 84.9 mt -65.17 -31.21 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.492 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -57.01 -28.6 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.719 HG23 ' HB ' ' A' ' 41' ' ' VAL . 30.8 p -64.92 -28.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.413 HG13 HD21 ' A' ' 104' ' ' LEU . 40.7 mm -57.82 152.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -122.5 -40.61 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -130.03 169.92 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.679 HD23 HD23 ' A' ' 62' ' ' LEU . 24.9 mt -135.45 112.93 10.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.8 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.58 131.12 43.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -146.13 167.25 23.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.749 HG22 ' O ' ' B' ' 461' ' ' ILE . 12.4 p -83.2 147.21 53.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.44 165.53 32.41 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.542 2.161 . . . . 0.0 112.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.88 -29.77 67.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -66.44 -31.28 71.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.8 p -60.04 153.27 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -79.74 -40.47 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -95.57 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mtp -80.36 113.38 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.572 ' O ' HG23 ' A' ' 51' ' ' THR . 51.5 mtm -151.53 163.44 39.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.625 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 7.5 tt -133.36 159.29 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.552 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.6 ttt180 -145.83 135.76 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.679 HD23 HD23 ' A' ' 48' ' ' LEU . 6.2 mt -113.85 142.54 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.749 HD12 ' HG2' ' A' ' 86' ' ' ARG . 11.1 mm -113.36 120.52 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.39 164.04 43.35 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.749 ' HG2' HD12 ' A' ' 63' ' ' ILE . 33.3 mtm180 -109.44 110.88 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -101.77 129.89 48.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.44 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.3 ptm -110.47 114.69 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -110.41 136.48 49.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -91.71 158.02 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 100' ' ' ILE . 35.2 m-85 -140.67 170.85 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.22 34.19 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.419 ' HB3' HG23 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -169.55 124.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -34.05 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.72 -37.27 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.3 t -79.79 -46.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.418 ' HA ' ' CD2' ' A' ' 91' ' ' PHE . 27.1 ttp -59.99 -32.13 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -82.64 -31.62 28.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.8 -26.77 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.42 HG13 ' CE2' ' A' ' 91' ' ' PHE . 35.1 mm -74.41 -51.65 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -59.02 -47.19 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -58.12 -28.57 64.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.996 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.433 HG23 ' OE2' ' A' ' 20' ' ' GLU . 64.5 m -82.35 -31.27 29.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.817 ' CD2' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -79.9 -42.21 24.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -57.98 -29.14 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -44.83 20.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.7 mt -64.57 -42.38 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.817 HD11 ' CD2' ' A' ' 104' ' ' LEU . 21.1 mt -72.46 -42.44 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 m -68.7 -31.93 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -70.41 -30.96 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -104.9 9.95 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.368 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.712 ' CE3' HD12 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 111.078 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.4 -21.72 63.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.02 1.71 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.626 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.749 ' O ' HG22 ' A' ' 51' ' ' THR . 41.3 mt -100.13 -33.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.4 m-85 -109.75 8.08 24.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.569 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.832 179.838 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 m80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -167.48 -178.44 3.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.57 160.75 10.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.87 135.83 57.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.863 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -153.26 129.27 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -102.79 120.54 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 7.2 t80 -102.92 114.69 29.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 73.88 -45.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.529 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -179.46 -32.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 43.8 t -69.25 133.84 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 111.239 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.05 116.68 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.3 -171.41 12.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.54 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -108.74 124.56 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.863 HD12 ' CB ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -101.0 129.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.07 121.86 19.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.604 HG23 ' CD1' ' A' ' 42' ' ' LEU . 27.7 mt -89.19 135.17 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -112.95 111.34 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.34 29.91 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -85.71 -34.48 21.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.0 p -98.58 148.03 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.467 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -49.58 -65.35 0.86 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.712 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 22' ' ' VAL . 18.2 Cg_endo -59.1 -18.22 42.57 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.563 2.176 . . . . 0.0 112.605 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.68 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 60.97 156.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.04 141.36 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.854 HD21 HG12 ' A' ' 16' ' ' ILE . 6.5 tt -106.54 118.55 36.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.666 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.85 120.32 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.44 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 35.8 t90 -113.73 109.86 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HG2' HG12 ' A' ' 37' ' ' VAL . 30.5 mtp180 -100.15 144.64 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -75.51 142.22 42.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 m -69.03 -40.61 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.32 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.09 -171.7 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -130.71 71.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.72 125.73 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.649 HG12 ' HG2' ' A' ' 30' ' ' ARG . 33.3 m -108.69 149.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.213 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -127.64 110.59 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.42 118.81 27.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.6 p -125.69 109.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -59.81 123.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.605 HD22 HD21 ' A' ' 104' ' ' LEU . 96.0 mt -80.38 -27.2 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -32.49 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -63.44 -29.88 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -60.9 152.64 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -121.43 -46.2 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -130.01 157.57 41.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.774 HD11 HD12 ' A' ' 108' ' ' ILE . 4.5 mp -108.34 139.48 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.784 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -140.86 141.97 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.808 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -157.05 166.91 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.548 HG22 HG12 ' B' ' 461' ' ' ILE . 19.0 p -70.35 149.45 95.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.44 156.72 60.96 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 112.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.34 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -66.38 -31.79 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.5 t -73.87 125.18 27.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.55 -31.09 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.587 ' HB3' HD11 ' B' ' 461' ' ' ILE . 0.7 OUTLIER -77.68 117.06 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mtm -106.25 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.4 mtm -151.55 147.92 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.808 HD12 ' HB2' ' A' ' 50' ' ' ALA . 7.8 tp -112.32 132.61 54.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -135.36 124.41 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.652 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -102.9 142.53 33.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mm -102.24 130.49 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.48 165.08 49.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 mttp . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.859 0.362 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -148.28 93.9 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -101.8 129.37 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.432 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 0.2 OUTLIER -112.18 149.91 31.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.462 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 98.0 m-85 -128.72 152.22 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.95 138.53 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -134.39 159.47 40.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -134.39 34.29 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.1 m120 -162.92 113.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -64.4 -31.78 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.7 82.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.7 t -77.15 -33.12 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.43 -35.53 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.93 -41.49 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -60.55 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.87 -54.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HB2' HD11 ' A' ' 60' ' ' LEU . 13.0 ttmt -60.24 -32.32 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.5 ttm -75.35 -43.79 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -61.98 -47.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.606 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 mp -59.61 -44.49 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' HD22 ' A' ' 48' ' ' LEU . 48.7 mt-30 -58.5 -30.1 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.89 52.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.02 -41.97 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.774 HD12 HD11 ' A' ' 48' ' ' LEU . 13.3 mt -71.28 -43.13 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 m -63.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.12 -31.46 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -98.75 10.96 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.07 -27.96 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.34 -1.17 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.514 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 57' ' ' LYS . 12.6 tt -99.56 -39.9 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.1 m-85 -88.16 -31.99 18.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -164.62 166.02 20.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.75 161.75 23.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.474 ' H ' HG11 ' A' ' 96' ' ' VAL . . . -59.81 138.49 57.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.82 127.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.9 mp -102.09 124.13 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 12.6 t80 -127.54 131.46 50.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.34 37.03 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 62.54 36.39 13.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 8' ' ' ILE . 44.3 t -132.84 134.07 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.488 ' O ' HG22 ' A' ' 32' ' ' THR . 0.7 OUTLIER -82.19 127.61 33.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.22 170.81 37.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 mm -105.56 135.46 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.105 HD11 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.06 140.48 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.025 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.93 122.41 18.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mt -89.19 134.52 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -100.96 113.71 26.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -101.45 27.73 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.39 -37.88 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.856 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.5 p -88.33 146.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.6 m -49.27 -66.75 0.53 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.79 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.856 ' HD2' HG22 ' A' ' 22' ' ' VAL . 20.4 Cg_endo -60.66 -16.23 41.99 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.473 2.115 . . . . 0.0 112.785 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.586 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 60.55 160.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.92 162.53 39.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.105 HD21 HD11 ' A' ' 16' ' ' ILE . 5.9 tt -119.39 116.94 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -97.79 145.86 25.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.723 ' O ' HG23 ' A' ' 37' ' ' VAL . 53.7 t90 -136.3 110.18 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -108.79 136.35 48.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 p -59.69 143.81 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 13' ' ' SER . 11.9 t -60.36 -46.36 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 32' ' ' THR . 18.7 p-10 -125.5 -43.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.6 -169.82 0.17 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -122.54 30.32 6.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.3 118.7 37.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.6 p -133.71 139.16 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -133.47 150.6 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.39 145.45 48.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.2 p -142.1 121.76 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.881 ' O ' HG22 ' A' ' 44' ' ' THR . 24.6 t -74.37 109.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.968 HD22 HD21 ' A' ' 104' ' ' LEU . 34.1 mt -63.58 -22.71 67.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.7 -45.57 74.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.881 HG22 ' O ' ' A' ' 41' ' ' VAL . 11.2 t -61.03 -29.17 69.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.93 153.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' O ' HG21 ' A' ' 108' ' ' ILE . 9.3 t0 -124.83 -48.13 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.07 159.62 36.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.824 HD13 ' HG3' ' A' ' 101' ' ' LYS . 3.4 pp -132.72 152.9 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -149.4 135.73 19.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -122.9 159.36 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -76.85 160.38 76.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.83 139.15 39.29 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.51 2.14 . . . . 0.0 112.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.51 -29.38 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -66.4 -31.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -68.21 165.69 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -92.47 -45.44 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -73.47 86.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.3 mtm -79.23 114.83 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.491 ' HE3' ' CZ ' ' B' ' 462' ' ' PHE . 47.8 mtm -151.51 165.68 33.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 49' ' ' GLN . 64.5 tp -123.62 156.61 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.6 OUTLIER -144.14 125.61 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -111.55 123.51 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.555 HG23 ' HG2' ' A' ' 86' ' ' ARG . 24.6 mm -86.74 134.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.62 -164.53 9.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HG2' HG23 ' A' ' 63' ' ' ILE . 17.0 mtt180 -152.73 105.11 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -106.69 151.86 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.444 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -136.36 149.87 48.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 84.3 m-85 -127.95 143.74 51.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.829 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.71 149.4 26.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CE2' HG13 ' A' ' 100' ' ' ILE . 27.0 m-85 -138.57 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -138.29 32.89 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.97 148.2 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -82.41 -52.38 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.3 m -59.75 -48.19 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.474 HG11 ' H ' ' A' ' 6' ' ' ALA . 21.8 t -59.57 -58.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.409 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 10.6 tmm? -59.82 -31.14 69.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.77 -46.56 78.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -57.56 -30.9 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.432 HG13 ' CE2' ' A' ' 91' ' ' PHE . 33.3 mm -64.93 -51.65 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.824 ' HG3' HD13 ' A' ' 48' ' ' LEU . 11.4 ttpp -56.61 -42.87 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -42.9 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.5 m -67.17 -23.61 65.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.968 HD21 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -83.45 -48.15 10.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.137 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.75 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 pp0? -56.19 -28.7 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.143 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -71.93 -31.14 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 111' ' ' TYR . 22.4 mt -77.77 -34.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.425 HG21 ' O ' ' A' ' 46' ' ' ASP . 39.5 mt -72.53 -51.44 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -60.49 -31.36 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -31.64 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.52 ' CE2' HG22 ' A' ' 107' ' ' ILE . 3.9 m-85 -104.79 8.94 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.372 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.449 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.798 0.333 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -28.78 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -85.7 -40.93 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.449 HG22 ' HA ' ' B' ' 458' ' ' TRP . 10.9 tt -59.19 -30.46 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.491 ' CZ ' ' HE3' ' A' ' 59' ' ' MET . 22.1 m-85 -95.95 -29.3 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -162.29 142.8 10.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.51 146.3 11.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -61.82 108.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.02 129.57 50.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' VAL . 4.1 mp -99.36 102.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.93 140.09 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mt-10 62.03 32.56 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt 62.94 30.49 16.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 8' ' ' ILE . 39.5 t -126.81 136.53 60.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -73.98 121.09 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.405 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -159.88 170.86 36.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -108.87 138.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.978 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.04 143.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.72 121.87 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.0 mt -93.05 134.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -110.73 120.68 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.23 29.69 4.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.12 -31.68 30.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.765 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.926 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.0 p -107.35 148.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.18 -65.11 0.83 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.491 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD2' HG22 ' A' ' 22' ' ' VAL . 17.9 Cg_endo -59.2 -17.45 39.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.503 2.135 . . . . 0.0 112.582 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.677 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.69 171.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.027 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -160.15 148.16 16.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.978 HD21 HD11 ' A' ' 16' ' ' ILE . 7.0 tt -112.36 118.02 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.615 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -97.79 146.61 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.726 ' O ' HG23 ' A' ' 37' ' ' VAL . 55.0 t90 -140.82 108.68 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -109.32 135.64 50.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 143.35 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.506 ' H ' ' HG1' ' A' ' 32' ' ' THR . 2.2 p -58.98 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.0 31.13 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.39 -160.93 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -132.9 31.09 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.05 118.81 32.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.9 p -131.83 129.39 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -121.41 150.62 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -126.29 127.92 46.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.0 p -132.68 114.6 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.656 ' CG1' HG23 ' A' ' 44' ' ' THR . 11.7 p -58.09 130.15 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.869 HD22 HD11 ' A' ' 104' ' ' LEU . 21.4 mt -72.62 -23.08 60.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.654 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -58.23 -41.24 83.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.128 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.656 HG23 ' CG1' ' A' ' 41' ' ' VAL . 19.7 p -55.22 -24.12 25.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.214 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 42' ' ' LEU . 2.9 mp -82.43 129.6 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -107.4 -34.14 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -130.1 154.42 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.553 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 104' ' ' LEU . 4.8 mt -109.82 152.92 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 155.2 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -153.7 167.2 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.5 HG22 HG12 ' B' ' 461' ' ' ILE . 71.9 p -86.05 153.14 56.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.35 155.96 65.76 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.529 2.152 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.83 -30.06 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -66.43 -30.84 71.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -59.42 133.42 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.57 -31.62 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' CG ' HD11 ' B' ' 461' ' ' ILE . 0.0 OUTLIER -102.16 117.73 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.2 ttp -94.06 113.41 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.3 mtm -151.49 157.51 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -124.41 154.9 39.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.76 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.502 ' NE ' HD11 ' A' ' 63' ' ' ILE . 3.0 ptt180 -145.82 152.12 39.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.106 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -115.56 142.54 46.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 86' ' ' ARG . 21.8 mm -102.6 119.33 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.04 -172.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.7 mtt180 -132.65 111.92 11.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -101.81 131.98 47.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.45 ' HE3' ' HE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -124.29 149.99 45.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 60' ' ' LEU . 7.0 p90 -145.37 146.52 31.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.434 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -84.02 161.38 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.408 ' CE1' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -154.89 157.84 38.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.778 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -131.44 34.33 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.563 ' HB3' HG23 ' A' ' 96' ' ' VAL . 7.9 m120 -150.01 110.74 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -39.55 90.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -71.75 -40.07 69.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.563 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.2 t -74.65 -32.44 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.43 -33.93 71.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -85.4 -30.41 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 102' ' ' MET . 2.3 m-80 -60.11 -29.41 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.07 -50.78 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.55 ' HD3' HD21 ' A' ' 60' ' ' LEU . 10.5 ttpp -64.91 -44.48 89.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.41 ' HG2' ' HA ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -60.55 -31.67 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.759 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.6 m -82.82 -32.94 27.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -73.57 -39.29 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.869 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.25 -30.3 68.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.15 -35.99 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 104' ' ' LEU . 25.3 mt -71.02 -37.97 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.762 HG22 ' HG3' ' A' ' 112' ' ' LYS . 19.6 mt -74.82 -44.83 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.3 t -59.51 -40.05 85.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.44 -45.23 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 3.2 m-85 -90.48 8.85 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.362 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 108' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.416 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.731 0.3 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.68 -28.79 33.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.28 -38.39 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.5 HG12 HG22 ' A' ' 51' ' ' THR . 11.1 tt -58.11 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.451 ' CE1' HG23 ' A' ' 51' ' ' THR . 26.6 m-85 -93.59 -31.11 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 m80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.5 p -176.28 161.5 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.687 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -168.21 150.46 16.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 106.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -121.89 131.2 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 12' ' ' VAL . 23.2 mt -111.21 103.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 8.5 t80 -107.12 139.88 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 61.96 32.06 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt 62.24 37.35 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 8' ' ' ILE . 60.3 t -127.49 129.08 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.033 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 32' ' ' THR . 38.7 m -74.02 116.85 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.13 171.07 35.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.6 mm -106.67 139.45 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.008 HD11 HD21 ' A' ' 27' ' ' LEU . 1.1 tt -101.05 144.45 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.73 114.45 11.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.498 HG23 HD11 ' A' ' 42' ' ' LEU . 26.5 mt -89.38 134.91 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.13 108.38 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.83 25.97 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.8 -30.07 13.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.733 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.923 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.95 147.51 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -43.78 -68.75 0.26 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.952 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' A' ' 22' ' ' VAL . 52.1 Cg_endo -68.45 81.05 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.189 1.926 . . . . 0.0 111.494 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -42.66 130.39 4.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.706 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' HG21 ' A' ' 39' ' ' THR . 7.9 tt0 -121.69 147.67 45.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.008 HD21 HD11 ' A' ' 16' ' ' ILE . 6.8 tt -114.1 120.55 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.681 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.8 m -103.52 150.17 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 37' ' ' VAL . 48.9 t90 -142.51 119.56 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 142.3 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 p -59.05 143.92 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 13' ' ' SER . 9.4 t -58.63 -43.44 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -154.08 31.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -106.36 -134.16 7.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.26 31.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.68 119.0 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.0 p -131.71 123.81 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -123.7 146.6 48.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.465 HG21 ' OE1' ' A' ' 26' ' ' GLU . 5.9 m -124.37 137.03 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 27' ' ' LEU . 15.6 m -130.62 134.62 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.84 ' O ' HG22 ' A' ' 44' ' ' THR . 11.1 p -73.87 135.56 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.983 HD22 HD21 ' A' ' 104' ' ' LEU . 55.7 mt -80.62 -27.46 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -56.9 -28.3 61.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.103 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.84 HG22 ' O ' ' A' ' 41' ' ' VAL . 15.3 t -73.7 -28.65 61.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.857 HD12 ' HB3' ' A' ' 62' ' ' LEU . 43.2 mm -57.51 150.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.91 -49.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 48' ' ' LEU . 2.2 tptt -129.97 140.28 50.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -108.33 124.62 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -123.76 157.37 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -154.36 167.22 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.416 HG21 ' O ' ' A' ' 57' ' ' LYS . 8.4 p -82.71 154.62 68.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.29 161.54 44.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.517 2.145 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.22 -28.06 47.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -66.32 -31.31 72.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -78.08 156.68 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -98.44 28.86 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' HD2' ' CH2' ' B' ' 458' ' ' TRP . 13.1 mtmt -130.4 79.16 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -71.7 113.26 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -150.11 165.7 32.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -144.15 134.57 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -125.31 152.16 45.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.81 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.857 ' HB3' HD12 ' A' ' 45' ' ' ILE . 12.3 mt -114.97 142.62 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.48 99.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.8 169.15 12.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -151.1 95.02 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -108.46 116.54 32.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.46 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.2 ppp? -99.19 135.09 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 94.8 m-85 -119.89 145.43 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.83 143.77 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -128.02 170.91 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -143.04 30.75 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.409 ' HB3' HG23 ' A' ' 96' ' ' VAL . 25.8 m-20 -166.78 141.7 4.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -49.7 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 m -59.96 -33.05 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.2 t -79.98 -41.07 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.495 ' CG ' HD13 ' A' ' 60' ' ' LEU . 27.0 ttp -61.38 -30.61 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.17 -38.69 60.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.33 -41.55 97.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.722 HG22 HD12 ' A' ' 104' ' ' LEU . 32.0 mm -69.0 -53.39 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 60' ' ' LEU . 2.2 ttmt -57.48 -48.59 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.028 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 ttp -60.19 -44.49 95.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.0 m -70.17 -27.26 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.983 HD21 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.34 -29.97 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.6 ' HG3' HD13 ' A' ' 48' ' ' LEU . 9.5 mt-30 -77.32 -29.73 53.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.43 -29.91 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.549 HD13 HD12 ' A' ' 42' ' ' LEU . 19.1 mt -76.42 -32.11 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.873 HD12 HD12 ' A' ' 48' ' ' LEU . 32.8 mt -82.37 -31.11 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 -30.88 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.45 ' NE ' ' CE1' ' A' ' 111' ' ' TYR . 4.7 ptm180 -68.24 -27.35 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.45 ' CE1' ' NE ' ' A' ' 110' ' ' ARG . 28.5 m-85 -100.02 11.2 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . 0.793 ' HE2' HG22 ' A' ' 108' ' ' ILE . 35.4 mttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.455 ' HA ' HD13 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.686 0.279 . . . . 0.0 111.218 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -90.01 -20.15 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.198 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.64 -26.36 14.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.311 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' B' ' 462' ' ' PHE . 20.5 pt -54.29 -27.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.381 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' B' ' 461' ' ' ILE . 84.8 m-85 -89.18 -33.24 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.867 0.365 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -171.15 157.67 5.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.1 157.77 30.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -61.81 116.35 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -139.72 131.18 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.007 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.5 mp -94.41 136.78 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.458 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 4.5 t80 -127.82 103.28 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.432 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 65.45 71.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.469 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG3' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER 42.47 31.67 0.3 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.738 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 10' ' ' GLU . 85.8 t -125.44 122.17 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.897 ' O ' HG22 ' A' ' 32' ' ' THR . 1.7 m -80.1 119.09 22.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.1 169.98 32.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 mm -106.0 134.93 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.971 HD11 HD21 ' A' ' 27' ' ' LEU . 1.6 tt -100.97 146.88 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.78 120.3 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 42' ' ' LEU . 28.8 mt -95.88 134.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -100.59 115.21 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.88 29.1 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -94.28 -31.46 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.91 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.57 148.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -49.83 -65.41 0.86 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.624 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.91 ' HD2' HG22 ' A' ' 22' ' ' VAL . 17.9 Cg_endo -59.5 -16.92 38.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.717 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.668 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 61.98 165.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -151.1 143.42 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.971 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -117.05 110.08 17.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.463 HG21 ' NH1' ' A' ' 30' ' ' ARG . 3.8 m -97.79 149.66 22.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.534 ' O ' HG23 ' A' ' 37' ' ' VAL . 69.8 t90 -136.94 107.95 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' NH1' HG21 ' A' ' 28' ' ' THR . 4.8 mtp85 -106.48 130.88 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 147.83 31.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 13' ' ' SER . 10.0 t -83.32 -30.8 27.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -150.47 78.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.63 -127.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -166.85 36.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.37 125.78 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.4 p -140.38 142.69 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -142.92 146.87 34.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -127.87 134.85 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.97 145.96 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 25' ' ' ALA . 14.0 t -78.34 130.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 18' ' ' ILE . 19.5 mt -79.79 -28.56 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 t -59.46 -29.37 67.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -69.75 -23.29 63.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.91 HD12 HD23 ' A' ' 62' ' ' LEU . 47.2 mm -56.13 150.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 38.6 t0 -119.35 -48.99 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -130.02 158.75 38.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.763 HD22 ' HG3' ' A' ' 105' ' ' GLN . 1.3 mp -124.57 137.33 54.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.765 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.16 156.91 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -156.98 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.6 p -59.8 154.02 49.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 160.68 48.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.574 2.182 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.5 m -66.47 -31.42 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -64.51 138.26 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.67 -39.0 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.61 98.74 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -76.61 126.22 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.2 mtm -147.76 141.51 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -110.62 124.42 51.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -126.01 128.33 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.91 HD23 HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -124.73 143.27 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.966 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 63' ' ' ILE . 2.3 mp -110.02 140.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.825 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.28 -178.49 49.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.635 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -117.31 109.04 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -101.75 127.84 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.449 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.8 ptm -120.26 120.2 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 46.1 m-85 -111.51 129.7 55.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.07 158.09 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 49.9 m-85 -149.36 170.92 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -131.9 33.97 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.42 ' HB3' HG23 ' A' ' 96' ' ' VAL . 13.9 t-20 -171.55 143.45 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -82.7 -42.74 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.42 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.5 t -78.13 -45.16 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.44 ' HG2' ' CG ' ' A' ' 91' ' ' PHE . 1.1 mtm -59.55 -31.32 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.84 -38.77 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -67.32 -31.11 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.618 HG22 HD13 ' A' ' 104' ' ' LEU . 31.8 mm -76.11 -50.92 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.491 ' HB2' HD11 ' A' ' 60' ' ' LEU . 13.2 ttmt -60.18 -45.14 94.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' MET . . . . . 0.409 ' HB3' ' HE2' ' A' ' 102' ' ' MET . 19.2 ptp -59.76 -31.36 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.43 ' CG2' HD12 ' A' ' 18' ' ' ILE . 71.4 m -81.81 -28.54 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.631 ' CB ' HD21 ' A' ' 48' ' ' LEU . 1.6 mp -80.48 -27.67 37.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.084 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.763 ' HG3' HD22 ' A' ' 48' ' ' LEU . 29.0 mt-30 -83.27 -39.65 20.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -58.74 -41.26 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.447 HD12 HD13 ' A' ' 42' ' ' LEU . 22.5 mt -62.79 -37.58 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.098 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.2 mt -74.45 -52.11 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 m -58.26 -31.41 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -71.85 -31.06 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 23' ' ' SER . 14.0 m-85 -107.32 10.02 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.327 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mttt . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.504 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.332 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.66 -19.66 44.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.377 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -99.68 -27.85 13.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.742 0.306 . . . . 0.0 111.245 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' B' ' 458' ' ' TRP . 11.4 tt -70.47 -29.57 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.398 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.4 m-85 -99.49 -57.97 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.5 m80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -175.6 146.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.5 166.72 39.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 136.76 58.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.77 123.29 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -98.2 112.97 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -114.88 136.2 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.6 mt-10 61.71 35.75 16.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.34 31.3 17.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 8' ' ' ILE . 32.3 t -129.7 139.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.66 128.59 33.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.1 166.84 37.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.55 137.16 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.046 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.06 151.12 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.083 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.77 126.27 17.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.94 134.71 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -116.05 115.29 25.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -100.66 30.58 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -82.78 -35.8 26.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.784 HG22 ' HD2' ' A' ' 24' ' ' PRO . 7.4 p -106.64 151.81 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.523 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.96 -58.57 9.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -179.245 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.784 ' HD2' HG22 ' A' ' 22' ' ' VAL . 21.5 Cg_exo -65.21 -13.13 38.13 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.343 2.029 . . . . 0.0 112.625 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.607 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 64.8 173.9 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.733 0.301 . . . . 0.0 110.782 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -157.72 131.98 8.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.212 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.046 HD21 HD11 ' A' ' 16' ' ' ILE . 6.9 tt -111.46 111.91 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.403 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.77 140.15 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.811 ' O ' HG23 ' A' ' 37' ' ' VAL . 58.3 t90 -130.47 107.47 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.653 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.34 131.54 54.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.98 143.23 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.7 m -63.19 -46.22 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -149.66 77.98 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.54 -118.3 0.44 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.81 36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -126.28 124.25 39.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.2 p -148.73 137.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -142.75 150.63 40.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.438 HG21 ' HG2' ' A' ' 26' ' ' GLU . 17.6 m -113.35 146.2 39.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 40' ' ' VAL . 11.1 p -142.15 115.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.815 HG12 ' H ' ' A' ' 43' ' ' SER . 22.2 t -59.72 127.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 45' ' ' ILE . 21.6 mt -80.56 -0.16 36.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.637 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.815 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -77.8 -43.34 30.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.741 0.305 . . . . 0.0 111.125 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.741 HG23 HD12 ' A' ' 45' ' ' ILE . 1.4 t -55.35 -29.27 58.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.148 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.741 HD12 HG23 ' A' ' 44' ' ' THR . 4.2 mp -72.06 123.17 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.19 -28.31 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -130.02 157.1 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 1.008 HD11 HD12 ' A' ' 108' ' ' ILE . 5.1 mp -118.61 149.04 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.29 121.7 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -131.18 161.89 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.655 HG22 ' HD2' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -98.37 142.4 24.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.783 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 51' ' ' THR . 53.8 Cg_endo -69.7 148.91 66.52 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.468 2.112 . . . . 0.0 112.314 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -26.9 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -28.75 68.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.6 157.33 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -42.87 95.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -126.51 134.29 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -95.94 123.1 39.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.0 mtm -150.78 148.72 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 55.5 tp -111.22 141.18 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.475 ' O ' HD13 ' A' ' 62' ' ' LEU . 5.3 ttm180 -138.3 142.73 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.649 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -118.96 142.51 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.512 HD12 ' HG2' ' A' ' 86' ' ' ARG . 23.9 mm -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.95 -174.48 3.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.512 ' HG2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -98.32 96.57 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -109.71 137.09 48.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.44 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -123.68 149.98 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -128.76 143.11 50.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.795 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.72 146.18 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -139.19 170.92 15.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -143.7 33.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.537 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.5 m120 -158.86 113.77 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -61.73 -35.02 76.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -74.13 -40.9 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 93' ' ' ASN . 23.2 t -74.91 -38.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 18.8 ttp -60.59 -31.26 70.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.63 -31.24 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.15 -43.36 95.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.599 HG22 HD13 ' A' ' 104' ' ' LEU . 30.5 mm -67.87 -55.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -60.26 -31.47 70.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.7 ttm -76.64 -43.89 36.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.401 HG22 HD11 ' A' ' 107' ' ' ILE . 88.9 m -66.07 -42.94 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.807 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 mp -58.85 -41.55 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.684 ' HG2' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -58.98 -30.38 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -35.03 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 104' ' ' LEU . 16.8 mt -70.89 -40.77 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.008 HD12 HD11 ' A' ' 48' ' ' LEU . 21.7 mt -74.74 -31.17 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 t -79.94 -31.05 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -65.15 -31.11 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 107' ' ' ILE . 4.5 m-85 -95.41 9.08 41.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.403 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.421 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.63 -29.11 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.93 -39.27 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' B' ' 458' ' ' TRP . 11.5 tt -58.4 -31.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' A' ' 88' ' ' MET . 23.2 m-85 -95.74 -43.39 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.684 ' CG ' HG21 ' A' ' 103' ' ' THR . 97.4 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.07 155.86 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.96 144.69 9.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.646 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.11 99.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.75 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -115.94 138.0 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.011 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.0 mp -102.22 121.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.196 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 7.4 t80 -124.83 134.64 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 62.22 33.62 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.18 30.72 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 8' ' ' ILE . 48.2 t -125.05 132.05 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.7 m -81.53 108.07 14.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.61 172.48 24.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -107.11 134.95 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.03 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.09 140.52 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.87 123.27 25.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 42' ' ' LEU . 30.6 mt -95.85 135.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -118.46 121.61 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -102.46 27.52 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -83.3 -40.13 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' A' ' 24' ' ' PRO . 14.4 p -87.44 146.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.16 -66.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.541 -179.42 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' A' ' 22' ' ' VAL . 34.4 Cg_endo -63.98 -8.72 16.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.623 2.215 . . . . 0.0 113.036 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.564 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.28 164.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.744 0.307 . . . . 0.0 111.009 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -154.96 154.19 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.03 HD21 HD11 ' A' ' 16' ' ' ILE . 6.2 tt -123.13 115.62 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.503 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -97.85 150.68 21.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 37' ' ' VAL . 83.3 t90 -139.74 109.74 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 p -60.0 142.77 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 m -72.32 -69.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.89 30.86 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -133.65 -153.57 7.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.79 25.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -102.03 130.03 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' TRP . 14.5 p -148.79 141.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -146.22 150.61 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.12 141.18 44.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.4 p -141.89 124.45 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 44' ' ' THR . 6.7 t -62.71 129.29 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.966 HD22 HD21 ' A' ' 104' ' ' LEU . 40.8 mt -80.62 -0.83 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.607 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.71 ' H ' HG12 ' A' ' 41' ' ' VAL . 10.8 p -78.3 -31.0 48.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 41' ' ' VAL . 2.2 t -60.33 -34.4 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 45' ' ' ILE . 5.0 mp -65.56 118.12 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.39 -24.64 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 171.39 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 62' ' ' LEU . 27.3 mt -143.52 112.89 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.803 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.88 136.69 54.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.781 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -146.28 167.22 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.752 HG22 ' O ' ' B' ' 461' ' ' ILE . 11.7 p -87.1 154.64 54.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 51' ' ' THR . 36.9 Cg_endo -65.72 153.55 77.67 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.574 2.182 . . . . 0.0 112.263 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.17 67.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -66.31 -30.48 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -76.67 129.08 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.69 -31.75 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.73 79.38 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -83.74 113.38 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.438 ' HE1' HD13 ' B' ' 461' ' ' ILE . 2.8 mpp? -145.22 150.97 37.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.781 HD23 ' HB2' ' A' ' 50' ' ' ALA . 1.2 mt -110.75 143.66 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HD2' ' CG ' ' B' ' 462' ' ' PHE . 14.4 ttt180 -128.58 111.88 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -83.08 141.48 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.124 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 86' ' ' ARG . 6.5 mm -113.26 106.17 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.983 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.23 -167.34 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 29.1 mtt180 -144.22 104.17 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -106.98 147.47 29.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.448 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 2.7 ppp? -129.96 150.05 51.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 3.9 m-85 -133.45 146.14 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.519 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -82.03 146.57 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.75 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 10.2 m-85 -152.37 141.55 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -111.54 -38.09 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.429 ' OD1' HG23 ' A' ' 96' ' ' VAL . 1.8 t-20 -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.6 m -60.53 -40.82 92.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.429 HG23 ' OD1' ' A' ' 93' ' ' ASN . 21.4 t -77.95 -42.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' MET . . . . . 0.57 ' HG2' HD12 ' A' ' 60' ' ' LEU . 3.8 ttp -60.54 -35.56 76.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.27 -31.32 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -68.89 -26.9 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.849 HG22 HD12 ' A' ' 104' ' ' LEU . 31.9 mm -73.23 -51.73 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.791 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.52 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.1 ttmm -63.99 -47.94 78.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.684 HG21 ' CG ' ' A' ' 3' ' ' HIS . 92.0 m -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.966 HD21 HD22 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -78.16 -30.14 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.822 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.13 -30.71 66.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -73.53 -28.26 61.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 104' ' ' LEU . 12.9 mt -73.52 -27.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.2 mt -82.65 -28.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -78.6 -32.0 47.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.434 ' CD ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 ptm180 -65.22 -28.32 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.066 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.561 ' CE2' HG22 ' A' ' 107' ' ' ILE . 11.1 m-85 -89.76 9.57 26.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.593 ' CE3' HD12 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.52 -33.37 75.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 460' ' ' TYR . . . . . 0.409 ' HA ' ' HG2' ' B' ' 463' ' ' GLU . 80.0 t80 -79.63 -2.98 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 51' ' ' THR . 50.0 mt -100.07 -28.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.711 0.291 . . . . 0.0 111.345 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.8 m-85 -109.72 12.04 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.75 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 463' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 460' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.612 0.244 . . . . 0.0 111.37 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.5 m170 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.83 0.347 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -175.27 155.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.79 163.05 35.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.89 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.84 126.13 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -103.5 132.64 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -132.3 126.2 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 59.3 44.22 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.77 34.47 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 8' ' ' ILE . 53.8 t -124.74 130.51 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.035 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -84.39 109.67 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.12 167.49 27.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -105.59 138.41 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.984 HD11 HD21 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.02 145.38 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 114.73 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.414 HG23 HD11 ' A' ' 42' ' ' LEU . 27.3 mt -89.22 134.24 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -116.89 97.56 6.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -97.48 34.16 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -102.41 -35.22 8.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG11 ' OE2' ' A' ' 26' ' ' GLU . 2.0 p -55.67 -60.01 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.588 ' H ' HG13 ' A' ' 22' ' ' VAL . 1.1 t 166.71 -68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.344 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 89.2 Cg_endo -76.42 -10.4 18.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.362 2.041 . . . . 0.0 112.1 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . 66.79 121.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.665 ' OE2' HG11 ' A' ' 22' ' ' VAL . 3.7 mt-10 -121.73 159.62 26.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.984 HD21 HD11 ' A' ' 16' ' ' ILE . 6.8 tt -114.95 117.64 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -104.64 143.92 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.779 ' O ' HG23 ' A' ' 37' ' ' VAL . 70.2 t90 -134.07 119.73 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.751 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.73 136.76 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -59.09 152.6 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -59.31 -31.95 69.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.6 -42.25 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.25 59.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.21 -54.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 118.81 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.4 p -147.25 137.06 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -137.06 150.57 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -117.71 126.59 52.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.34 139.74 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 26' ' ' GLU . 21.4 t -77.96 136.23 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.937 HD22 HD21 ' A' ' 104' ' ' LEU . 57.9 mt -80.51 -28.87 37.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.499 ' H ' HG12 ' A' ' 41' ' ' VAL . 6.7 t -56.55 -29.83 62.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -65.63 -30.29 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 46' ' ' ASP . 33.0 mm -64.34 154.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' HG22 ' A' ' 45' ' ' ILE . 18.3 t0 -122.39 -47.52 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -130.08 161.09 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.781 HD13 ' HG2' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -124.3 127.01 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -137.04 146.1 44.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -151.16 167.19 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.653 HG22 HG12 ' B' ' 461' ' ' ILE . 27.7 p -72.51 153.95 91.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 165.49 30.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.64 64.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -66.33 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 131.32 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.22 -56.36 22.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.0 118.61 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -94.93 113.37 25.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 mtm -150.31 165.73 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.743 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 5.7 tt -135.4 165.42 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.698 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -144.97 129.1 17.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 48' ' ' LEU . 9.0 mt -106.65 133.03 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.487 HD12 ' CG ' ' A' ' 86' ' ' ARG . 21.8 mm -110.62 137.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.99 -178.82 34.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -124.13 116.6 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -105.84 145.8 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.4 ptm -116.73 149.57 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -141.35 149.44 41.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.69 146.64 30.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -141.24 141.81 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -106.73 32.32 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.581 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.4 m120 -170.44 111.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -60.92 -31.63 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.6 m -65.79 -34.0 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' ' 93' ' ' ASN . 28.9 t -78.02 -40.96 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 ttp -59.92 -31.48 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.11 -31.86 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.5 -39.6 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.8 mm -72.95 -54.83 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.77 -46.85 83.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.69 -43.96 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.6 m -69.56 -37.4 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.937 HD21 HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.35 -42.11 75.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.781 ' HG2' HD13 ' A' ' 48' ' ' LEU . 9.6 mm-40 -57.09 -29.72 63.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.042 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -73.84 -30.63 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 25' ' ' ALA . 23.6 mt -78.91 -32.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.671 HD12 HD12 ' A' ' 48' ' ' LEU . 36.8 mt -82.61 -31.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -76.61 -40.19 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -30.25 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.78 -11.92 40.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.339 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.87 -35.96 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -41.75 70.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.653 HG12 HG22 ' A' ' 51' ' ' THR . 11.4 tt -58.62 -28.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 30.7 m-85 -101.2 -30.92 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.809 0.338 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 p -172.09 162.44 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.1 144.07 8.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.581 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -63.31 104.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -120.85 141.51 50.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.5 mp -107.54 129.01 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.133 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.487 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 3.1 t80 -133.55 130.66 38.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.779 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 64.01 36.47 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.45 35.07 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 8' ' ' ILE . 59.9 t -132.57 130.25 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.015 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 32' ' ' THR . 11.4 m -82.44 126.71 32.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.749 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.37 173.44 34.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.615 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.2 mm -105.56 132.19 53.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.789 HG12 HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -101.05 151.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.135 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.74 122.36 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.547 HG23 HD11 ' A' ' 42' ' ' LEU . 15.4 mt -89.17 132.27 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -109.22 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -102.57 27.96 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -89.61 -29.71 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 25' ' ' ALA . 10.5 m -92.02 -178.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.22 -60.61 2.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 60.2 Cg_endo -72.72 -32.05 9.83 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.567 2.178 . . . . 0.0 112.694 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.763 ' H ' HG23 ' A' ' 22' ' ' VAL . . . 62.97 143.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.8 mt-10 -138.6 163.84 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 0.0 111.442 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.867 HD13 HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -112.04 120.2 41.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.624 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.82 131.56 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.571 ' O ' HG23 ' A' ' 37' ' ' VAL . 78.3 t90 -130.8 109.6 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.52 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 m -58.9 142.82 49.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 13' ' ' SER . 15.1 t -59.48 -46.7 88.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.438 ' N ' HG23 ' A' ' 32' ' ' THR . 3.9 m-20 -123.95 -40.26 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.1 -172.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.642 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -120.15 29.33 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -107.96 148.89 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 29' ' ' TRP . 11.5 p -148.68 145.3 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.23 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -126.55 136.84 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.94 111.16 13.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.765 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.61 135.09 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.841 ' O ' HG22 ' A' ' 44' ' ' THR . 23.3 t -74.19 135.77 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.942 HD22 HD21 ' A' ' 104' ' ' LEU . 18.1 mt -80.65 -31.19 36.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.058 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.413 ' H ' HG12 ' A' ' 41' ' ' VAL . 34.5 t -57.46 -30.08 64.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -71.81 -24.24 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.216 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 108' ' ' ILE . 43.9 mm -56.51 151.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.92 -44.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' HD12 ' A' ' 48' ' ' LEU . 16.2 mtmt -130.06 171.35 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD21 ' HB3' ' A' ' 104' ' ' LEU . 1.7 mp -135.81 123.55 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.721 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.22 159.51 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 1.034 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -156.96 167.29 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 HG12 ' B' ' 461' ' ' ILE . 17.4 p -67.51 154.17 93.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.2 157.93 59.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.562 2.175 . . . . 0.0 112.256 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.45 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -31.56 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -64.91 127.98 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.26 -39.07 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 111.39 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.2 122.29 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.435 ' HE1' ' CZ3' ' B' ' 458' ' ' TRP . 0.5 OUTLIER -142.78 165.75 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.034 HD23 ' HB2' ' A' ' 50' ' ' ALA . 8.2 mt -124.38 146.98 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -135.92 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mt -123.92 142.51 51.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.586 HD11 ' HD3' ' A' ' 61' ' ' ARG . 7.8 mm -106.54 140.51 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.2 161.17 22.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.63 129.87 56.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -124.02 135.79 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.32 47.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.024 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 14.0 m-85 -128.03 153.21 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.509 ' HB3' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -85.21 157.8 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 60' ' ' LEU . 4.9 m-85 -156.23 135.08 11.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -108.96 33.02 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.41 ' HB3' HG23 ' A' ' 96' ' ' VAL . 48.5 m-80 -156.29 133.02 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -31.61 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -72.7 -43.63 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 93' ' ' ASN . 27.9 t -63.14 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.7 mtp -60.26 -35.43 75.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.34 -31.55 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.85 -44.64 54.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.69 -56.58 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.7 ' HG3' HD21 ' A' ' 60' ' ' LEU . 24.3 mtmt -59.18 -49.21 78.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.7 ttm -58.01 -41.1 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -73.09 -28.1 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.942 HD21 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.08 -47.18 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.441 ' HB3' HD22 ' A' ' 48' ' ' LEU . 1.3 pp0? -56.1 -28.82 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -76.0 -43.28 45.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.708 HD13 ' CD1' ' A' ' 42' ' ' LEU . 13.9 mt -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.611 HD12 HD13 ' A' ' 48' ' ' LEU . 44.4 mt -82.62 -30.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -81.34 -30.78 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 4.7 ptm85 -71.94 -35.45 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 110' ' ' ARG . 20.5 m-85 -89.8 -11.95 40.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.549 ' O ' HG22 ' B' ' 461' ' ' ILE . 18.9 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.677 0.275 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.64 -33.05 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.76 -56.06 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 51' ' ' THR . 9.9 tt -58.35 -29.08 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 20.5 m-85 -88.9 -30.51 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.066 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' HIS . . . . . 0.501 ' CG ' HG21 ' A' ' 103' ' ' THR . 2.7 m-70 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.8 p -156.41 167.57 30.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.61 142.32 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 130.06 44.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.43 115.43 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -100.0 119.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -102.95 114.03 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.293 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.81 -45.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.463 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -179.19 -32.38 0.01 OUTLIER 'General case' 0 C--O 1.231 0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 8' ' ' ILE . 58.0 t -61.46 125.48 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 111.181 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -88.2 109.42 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.856 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -138.37 169.08 24.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.557 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mm -105.51 131.75 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.919 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -100.98 142.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 124.13 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.432 HG23 HD11 ' A' ' 42' ' ' LEU . 29.0 mt -89.14 134.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.71 119.97 39.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.11 26.86 7.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.54 -32.57 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.912 HG22 ' HD2' ' A' ' 24' ' ' PRO . 14.0 p -99.63 147.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.3 m -49.76 -65.86 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.682 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.912 ' HD2' HG22 ' A' ' 22' ' ' VAL . 22.0 Cg_endo -60.78 -15.4 37.54 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.872 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.654 ' HB2' ' OH ' ' A' ' 111' ' ' TYR . . . 63.61 157.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -149.44 164.22 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.218 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.919 HD21 HD11 ' A' ' 16' ' ' ILE . 5.3 tt -121.04 119.2 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -97.77 134.17 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.735 ' O ' HG23 ' A' ' 37' ' ' VAL . 40.3 t90 -133.19 109.63 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -112.98 135.03 54.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 140.12 57.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' HA2' ' A' ' 14' ' ' GLY . 46.3 p -60.23 -61.96 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -122.45 94.1 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.82 -120.68 0.84 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.17 37.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 118.73 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.1 p -139.6 137.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -134.81 150.57 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -118.06 141.18 48.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 40' ' ' VAL . 11.4 p -137.83 122.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.799 ' O ' HG22 ' A' ' 44' ' ' THR . 21.7 t -59.67 132.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.632 HD13 HD13 ' A' ' 107' ' ' ILE . 32.1 mt -80.46 -26.62 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.469 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -57.47 -36.59 71.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 41' ' ' VAL . 12.8 t -59.25 -29.41 67.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.552 HD12 HD23 ' A' ' 62' ' ' LEU . 37.3 mm -62.42 153.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 45' ' ' ILE . 15.7 t0 -123.13 -52.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -130.03 156.87 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.72 HD23 ' HG ' ' A' ' 62' ' ' LEU . 7.5 mt -120.05 142.26 49.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.64 160.4 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -154.78 167.26 30.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.543 HG22 HG12 ' B' ' 461' ' ' ILE . 16.0 p -69.75 149.39 96.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.79 165.56 32.18 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.554 2.17 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.49 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -66.38 -29.63 69.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -59.19 129.99 44.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.29 -32.98 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 125.36 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -81.86 125.94 31.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.561 ' HE1' ' CZ2' ' B' ' 458' ' ' TRP . 44.2 mtm -151.5 165.79 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' HG2' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -130.79 142.53 50.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 22.1 ttt180 -125.35 117.48 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -97.57 142.54 29.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.799 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.511 HD12 ' CG ' ' A' ' 86' ' ' ARG . 10.2 mm -117.56 140.54 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.64 -163.01 35.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.951 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.763 0.316 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.511 ' CG ' HD12 ' A' ' 63' ' ' ILE . 3.8 mtt180 -170.22 103.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -116.88 119.42 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . 0.47 ' HE2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -117.73 149.99 39.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -131.19 164.3 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.8 m -99.72 136.3 39.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' PHE . . . . . 0.427 ' CE2' HG13 ' A' ' 100' ' ' ILE . 8.1 m-85 -128.91 137.87 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -107.08 33.67 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASN . . . . . 0.604 ' HB3' HG23 ' A' ' 96' ' ' VAL . 24.1 m-80 -163.15 134.02 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.67 -31.26 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -76.16 -31.77 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 93' ' ' ASN . 22.0 t -76.24 -49.12 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.3 ptm -60.19 -31.48 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -31.56 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -74.77 -25.06 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.827 HG22 HD12 ' A' ' 104' ' ' LEU . 31.6 mm -72.77 -52.0 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.729 ' HG2' HD21 ' A' ' 60' ' ' LEU . 24.6 mtmt -63.59 -48.33 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.3 -35.61 74.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.501 HG21 ' CG ' ' A' ' 3' ' ' HIS . 86.0 m -84.39 -27.83 27.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.827 HD12 HG22 ' A' ' 100' ' ' ILE . 12.7 mt -80.07 -30.01 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.623 ' HG2' HD12 ' A' ' 48' ' ' LEU . 54.1 mt-30 -72.79 -30.67 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 3.2 pt20 -71.37 -28.46 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.9 mt -71.04 -58.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 48' ' ' LEU . 3.8 mt -59.41 -30.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 m -64.14 -25.67 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -88.08 -27.28 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.685 ' CE2' HG22 ' A' ' 107' ' ' ILE . 7.2 m-30 -89.8 -11.87 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.486 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 458' ' ' TRP . . . . . 0.561 ' CZ2' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.738 0.304 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.79 -31.03 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 -42.46 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 461' ' ' ILE . . . . . 0.546 HG22 ' O ' ' B' ' 458' ' ' TRP . 10.1 tt -58.63 -26.73 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.327 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 462' ' ' PHE . . . . . 0.47 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 45.8 m-85 -104.44 -29.63 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.198 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.938 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.171 0 CA-C-O 120.887 0.286 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -107.01 123.4 48.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 m80 60.43 87.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -161.27 156.48 24.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.47 150.87 19.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.24 105.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -121.38 126.15 48.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 12' ' ' VAL . 25.2 mt -104.3 111.24 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 28.8 t80 -109.96 134.99 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 tt0 58.12 43.07 21.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.3 30.06 18.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 8' ' ' ILE . 72.3 t -118.28 123.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.65 ' O ' HG22 ' A' ' 32' ' ' THR . 4.2 m -73.27 111.24 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.92 172.04 31.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -110.4 139.6 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.983 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.16 151.07 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.82 117.98 11.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.2 mt -89.5 134.62 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -116.03 105.54 12.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.63 31.4 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.19 -31.12 43.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG13 ' H ' ' A' ' 25' ' ' ALA . 3.5 p -111.81 167.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 m -53.01 -67.57 0.55 Allowed Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.653 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 41.4 Cg_endo -67.04 -10.42 28.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.437 2.092 . . . . 0.0 112.809 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.537 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 61.35 -172.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.992 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -162.59 131.44 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 16' ' ' ILE . 6.7 tt -109.07 108.83 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -97.72 143.51 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' O ' HG23 ' A' ' 37' ' ' VAL . 46.0 t90 -133.33 113.94 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -114.83 138.92 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.0 p -59.11 146.17 39.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 13' ' ' SER . 9.9 t -59.6 -41.56 90.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.61 -58.49 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.61 90.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -176.9 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.41 131.64 56.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 29' ' ' TRP . 11.8 p -148.67 136.29 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -129.28 148.93 51.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.91 126.56 41.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.1 p -138.87 124.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.665 ' CG1' HG23 ' A' ' 44' ' ' THR . 12.4 p -64.51 140.55 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 104' ' ' LEU . 52.7 mt -80.56 -27.89 37.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.598 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -55.28 -33.69 63.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.665 HG23 ' CG1' ' A' ' 41' ' ' VAL . 12.5 p -61.21 -28.9 69.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 62' ' ' LEU . 40.5 mm -61.12 152.65 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -124.77 -44.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -130.0 161.7 30.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.765 HD13 ' HG2' ' A' ' 105' ' ' GLN . 1.4 mt -126.41 133.95 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -152.51 141.09 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' CB ' HD12 ' A' ' 60' ' ' LEU . . . -146.99 167.11 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.524 HG22 HG12 ' B' ' 461' ' ' ILE . 19.2 p -73.35 153.93 90.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 51' ' ' THR . 50.8 Cg_endo -69.14 157.54 61.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.279 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.8 70.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -66.33 -30.81 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 t -60.12 125.26 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.18 -31.11 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 97.29 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.84 115.88 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.414 ' CE ' ' CH2' ' B' ' 458' ' ' TRP . 69.0 mtm -151.52 148.73 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -110.67 161.34 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 0.4 OUTLIER -140.69 139.6 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 104' ' ' LEU . 12.2 mt -124.61 132.0 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.533 HG23 ' HG2' ' A' ' 86' ' ' ARG . 19.6 mm -111.21 128.05 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.89 174.99 55.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -79.81 148.93 31.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 67' ' ' ASP . 21.2 t -86.0 158.91 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 66' ' ' VAL . 3.0 t0 -94.17 88.2 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -93.73 46.57 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 p -128.38 -46.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -104.8 -43.15 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.665 ' CE ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -62.08 153.59 29.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.794 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.99 133.1 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 54.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.66 -163.12 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.787 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -112.15 -31.56 6.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.679 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -148.6 74.32 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.705 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.73 -28.0 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.402 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 71.78 99.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.976 0.417 . . . . 0.0 111.347 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.27 58.99 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.07 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' CE ' ' A' ' 71' ' ' LYS . 10.5 t -67.4 130.75 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.469 ' HB ' ' HD3' ' A' ' 82' ' ' PRO . 2.8 t -88.86 -47.97 0.42 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.442 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' HG12 ' A' ' 80' ' ' VAL . 97.2 Cg_endo -90.55 -162.04 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.738 2.292 . . . . 0.0 112.172 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.37 148.79 32.59 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HB3' HG22 ' A' ' 66' ' ' VAL . 59.2 Cg_endo -72.2 157.36 54.02 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.533 2.155 . . . . 0.0 112.327 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -81.79 141.54 33.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.533 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.9 mtt180 -148.73 108.84 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -116.13 137.34 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -123.04 149.96 43.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.77 140.75 51.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.812 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.45 ' HG ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -92.49 126.56 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 97' ' ' MET . 53.9 m-85 -114.54 170.92 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 31.16 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -173.49 133.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.88 -31.85 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -67.85 -49.82 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.06 -48.93 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.623 ' HG2' HD13 ' A' ' 60' ' ' LEU . 8.6 ttp -60.19 -31.24 69.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -76.34 -31.11 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.51 -30.21 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 104' ' ' LEU . 31.6 mm -75.22 -52.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.4 ttmm -59.42 -46.32 89.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.5 ptp -58.22 -34.92 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.827 HG22 HD11 ' A' ' 107' ' ' ILE . 89.9 m -75.8 -45.6 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.63 -30.83 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.765 ' HG2' HD13 ' A' ' 48' ' ' LEU . 8.6 mm100 -69.11 -30.64 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -83.3 -34.94 25.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 104' ' ' LEU . 9.2 mt -64.91 -46.7 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -37.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.9 t -65.06 -27.93 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -86.57 -28.45 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 23' ' ' SER . 20.3 m-85 -96.08 -11.84 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.515 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -29.3 17.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.759 0.314 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.53 -31.68 16.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.74 -49.83 42.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.893 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 16.7 mt -132.49 11.61 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.31 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.27 -54.28 10.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.98 89.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -29.72 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.529 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.0 OUTLIER -58.5 -28.86 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.47 -30.6 47.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.48 -42.67 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.529 HG22 ' O ' ' B' ' 458' ' ' TRP . 12.1 tt -58.98 -27.64 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 41.9 m-85 -101.26 -31.35 11.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.49 -59.9 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 53.0 p -99.99 -175.48 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.488 1.188 0 CA-C-O 120.809 0.254 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 p -66.16 145.59 55.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 59.99 75.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.8 p -176.37 159.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.52 146.39 8.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.57 95.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.669 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -113.54 127.14 55.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 mp -97.26 116.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 38.3 t80 -118.06 137.55 52.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.86 32.42 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.63 36.73 8.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 8' ' ' ILE . 41.2 t -131.33 135.11 60.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -79.33 105.05 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.35 -173.83 13.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -120.0 122.84 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.867 HG12 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.15 124.38 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.56 129.91 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.813 HD12 ' CG2' ' A' ' 103' ' ' THR . 27.8 mt -89.19 134.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -105.29 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -103.45 30.03 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.35 -31.69 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.888 HG22 ' HD2' ' A' ' 24' ' ' PRO . 13.4 p -95.29 146.87 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -50.75 -66.58 0.63 Allowed Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.709 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.888 ' HD2' HG22 ' A' ' 22' ' ' VAL . 19.0 Cg_endo -59.97 -16.55 39.48 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.11 . . . . 0.0 112.695 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.61 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 64.05 148.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.65 156.2 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.867 HD21 HG12 ' A' ' 16' ' ' ILE . 6.9 tt -111.63 148.03 34.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.774 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 m -121.08 141.0 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.655 ' O ' HG23 ' A' ' 37' ' ' VAL . 34.6 t90 -134.03 112.99 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -117.37 133.27 56.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 t -59.08 141.1 54.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -62.02 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -116.66 81.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.69 -132.86 1.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -162.26 36.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -122.05 118.77 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.7 p -135.43 139.89 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 64.6 t-80 -134.37 150.64 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.84 147.53 49.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -142.12 137.41 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.749 ' O ' HG22 ' A' ' 44' ' ' THR . 21.6 t -77.85 134.35 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 18' ' ' ILE . 31.1 mt -80.5 -28.32 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.454 ' H ' HG12 ' A' ' 41' ' ' VAL . 19.3 p -57.02 -40.78 77.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 41' ' ' VAL . 10.8 t -61.12 -24.86 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.0 mm -66.12 152.48 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 31.1 t0 -120.62 -54.77 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.52 166.4 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 105' ' ' GLN . 0.1 OUTLIER -134.92 148.78 50.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.52 132.09 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.679 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -126.53 167.22 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.9 p -84.5 156.14 62.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 165.51 30.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.551 2.167 . . . . 0.0 112.345 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.2 49.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -32.08 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.9 m -79.05 132.11 36.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.18 -43.49 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.481 ' HB3' HD11 ' B' ' 461' ' ' ILE . 19.7 mmtp -67.49 85.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.95 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.435 ' HB2' ' CE1' ' B' ' 462' ' ' PHE . 1.7 mpp? -146.8 165.68 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 50' ' ' ALA . 5.6 mt -119.78 140.69 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.6 ttt180 -128.79 140.12 51.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.791 HD21 HD13 ' A' ' 104' ' ' LEU . 13.4 mt -121.9 142.61 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.739 HG23 ' HG2' ' A' ' 86' ' ' ARG . 23.0 mm -118.3 140.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.37 157.01 17.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -87.53 117.18 26.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.93 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.912 HG11 HG21 ' A' ' 81' ' ' VAL . 21.2 t -60.98 141.41 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.78 85.85 7.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -55.5 -29.83 59.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -67.16 -30.34 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -76.91 -52.78 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -59.04 167.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -165.41 -174.11 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -116.72 97.73 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -139.65 36.11 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -114.09 -66.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -146.92 36.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.16 62.38 2.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.32 129.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -76.94 113.34 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.12 144.64 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.912 HG21 HG11 ' A' ' 66' ' ' VAL . 12.9 p -97.02 136.86 21.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 81' ' ' VAL . 95.6 Cg_endo -78.98 56.01 5.84 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.558 2.172 . . . . 0.0 112.41 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.07 137.87 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.526 ' HA ' HG22 ' A' ' 66' ' ' VAL . 71.9 Cg_endo -76.87 -168.22 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.523 2.149 . . . . 0.0 112.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -114.32 131.49 56.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 63' ' ' ILE . 35.1 mtt180 -152.33 121.45 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -118.59 155.72 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.467 ' HE3' ' HE2' ' B' ' 462' ' ' PHE . 4.3 ppp? -134.6 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HE1' HD12 ' A' ' 62' ' ' LEU . 12.2 m-85 -129.68 164.41 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.1 142.64 35.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 28.1 m-85 -140.2 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -144.19 31.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.582 ' HB3' HG23 ' A' ' 96' ' ' VAL . 8.1 m120 -144.76 115.31 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -68.3 -30.23 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.3 m -83.42 -29.37 28.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.5 t -86.59 -37.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -57.0 -32.0 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.07 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.29 -29.82 38.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -67.56 -30.08 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.531 HG22 HD11 ' A' ' 104' ' ' LEU . 29.4 mm -74.36 -51.53 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 104' ' ' LEU . 24.3 ttmt -59.68 -46.57 88.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.8 ptp -59.09 -29.69 67.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.813 ' CG2' HD12 ' A' ' 18' ' ' ILE . 59.9 m -80.75 -25.52 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.791 HD13 HD21 ' A' ' 62' ' ' LEU . 6.0 mt -84.28 -27.4 27.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 48' ' ' LEU . 14.0 pt20 -81.01 -30.72 34.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -72.48 -41.24 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.1 -49.18 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 104' ' ' LEU . 32.7 mt -65.55 -46.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.8 p -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -69.43 -37.93 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -89.79 -11.91 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.364 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -72.65 -31.6 65.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.92 -27.37 11.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 57.11 46.98 18.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 454' ' ' LEU . . . . . 0.508 HD23 ' HE1' ' B' ' 458' ' ' TRP . 6.2 tp -134.71 11.58 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -88.66 9.42 24.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.43 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -90.06 -31.25 17.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 457' ' ' SER . . . . . 0.417 ' O ' ' CE2' ' B' ' 460' ' ' TYR . 4.5 p -89.69 -30.21 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.574 ' HA ' HG22 ' B' ' 461' ' ' ILE . 9.5 m95 -87.98 -0.05 56.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.459 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.5 53.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 460' ' ' TYR . . . . . 0.417 ' CE2' ' O ' ' B' ' 457' ' ' SER . 8.0 p90 -100.08 -6.07 26.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' B' ' 458' ' ' TRP . 10.0 tt -100.05 -44.82 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.49 ' N ' HG23 ' B' ' 461' ' ' ILE . 44.6 m-85 -81.57 -57.24 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -60.31 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.04 79.05 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo . . . . . 0 N--CA 1.488 1.149 0 CA-C-O 120.791 0.246 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t 62.97 -79.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -105.41 39.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 p -170.42 161.52 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.546 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -168.69 155.48 26.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.577 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 96.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 111.208 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -113.57 136.54 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 12' ' ' VAL . 21.3 mt -114.25 125.63 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.405 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 3.0 t80 -123.83 123.3 40.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 mt-10 62.7 49.21 3.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.077 0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt 56.42 33.09 21.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.198 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 8' ' ' ILE . 92.8 t -119.51 118.17 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 111.062 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -74.96 108.58 7.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.68 179.06 23.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.6 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mm -113.94 137.77 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.984 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 tt -101.13 150.01 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.7 119.48 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.573 HG23 HD11 ' A' ' 42' ' ' LEU . 28.8 mt -89.16 134.54 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -102.19 104.29 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.57 25.54 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -96.86 -30.88 12.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.723 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.944 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.3 p -101.99 147.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.639 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -43.26 -68.87 0.24 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.101 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' A' ' 22' ' ' VAL . 55.6 Cg_endo -69.2 81.31 0.68 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.269 1.98 . . . . 0.0 111.506 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.66 130.79 4.05 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -121.79 152.29 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.984 HD21 HD11 ' A' ' 16' ' ' ILE . 5.9 tt -118.47 115.47 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -98.43 148.01 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.599 ' O ' HG23 ' A' ' 37' ' ' VAL . 59.7 t90 -139.7 110.34 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -109.29 131.56 54.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -57.92 162.26 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -57.56 -39.91 77.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -91.24 -31.23 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.81 34.68 5.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.06 -37.21 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -130.84 134.04 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.5 p -148.74 129.15 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -129.77 150.54 51.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 144.79 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.11 137.06 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 44' ' ' THR . 23.6 t -74.87 119.27 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.901 HD22 HD21 ' A' ' 104' ' ' LEU . 60.6 mt -67.98 -28.88 67.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -56.51 -30.42 62.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.53 HG23 ' HB ' ' A' ' 41' ' ' VAL . 45.6 p -66.0 -29.32 69.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 46' ' ' ASP . 38.1 mm -59.98 157.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 45' ' ' ILE . 36.5 t0 -124.59 -54.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -130.06 161.43 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 104' ' ' LEU . 3.6 mp -121.97 145.4 48.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -152.44 143.7 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.85 167.15 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.658 HG22 HG12 ' B' ' 461' ' ' ILE . 17.2 p -70.19 149.74 96.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.545 ' HD3' HG21 ' B' ' 464' ' ' THR . 55.8 Cg_endo -70.22 165.43 31.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.628 2.219 . . . . 0.0 112.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -31.49 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -67.85 -32.38 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.4 t -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.1 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -82.16 106.73 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.442 ' HE3' ' N ' ' A' ' 93' ' ' ASN . 19.3 mtm -86.63 113.44 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.472 ' HE3' ' CZ ' ' B' ' 462' ' ' PHE . 24.8 mtm -147.59 152.96 38.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 101' ' ' LYS . 1.2 tp -110.65 159.2 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.0 OUTLIER -145.8 143.5 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.585 ' O ' HD13 ' A' ' 63' ' ' ILE . 8.5 mt -124.54 142.5 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.642 HD12 ' HG3' ' A' ' 86' ' ' ARG . 7.8 mm -123.46 112.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.27 174.27 55.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.541 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -73.12 -170.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -108.46 156.21 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -130.86 79.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -105.58 36.51 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 m -115.38 -38.76 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -57.17 3.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 63.64 126.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.22 124.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 61.61 113.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -103.56 -31.54 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -146.9 -69.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.82 116.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 136.97 9.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.8 m120 60.76 111.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.13 79.24 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.0 p -74.04 152.59 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 83' ' ' LYS . 21.7 t -96.88 137.57 21.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -40.7 88.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.486 2.791 . . . . 0.0 113.054 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.3 ptmt -124.47 146.75 53.22 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.26 -178.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.519 2.146 . . . . 0.0 112.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -115.56 140.03 49.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.642 ' HG3' HD12 ' A' ' 63' ' ' ILE . 5.5 mpt_? -141.18 105.49 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -113.54 130.14 56.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.3 ptm -116.2 139.27 50.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -124.25 163.85 20.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.82 122.85 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.22 170.89 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -127.63 30.96 5.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.442 ' N ' ' HE3' ' A' ' 58' ' ' MET . 13.4 m-20 -172.42 142.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -82.71 -31.6 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -72.04 -43.36 65.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.24 -51.77 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.1 ptm -60.17 -31.14 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.94 -31.48 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 102' ' ' MET . 3.0 m-20 -80.06 -24.79 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.641 HG22 HD12 ' A' ' 104' ' ' LEU . 30.0 mm -76.64 -52.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.527 ' HB2' HD11 ' A' ' 60' ' ' LEU . 15.7 ttmt -62.25 -45.39 93.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -60.2 -31.43 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.3 m -84.21 -26.46 28.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.901 HD21 HD22 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -80.73 -29.4 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.577 ' HG2' HD13 ' A' ' 48' ' ' LEU . 7.9 mt-30 -74.98 -40.0 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.67 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 104' ' ' LEU . 15.4 mt -68.38 -58.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.95 -32.07 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -76.3 -31.49 58.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -72.64 -31.4 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.22 10.88 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -122.35 -43.35 2.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -73.64 -34.61 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -88.76 -70.19 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.905 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.11 11.59 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.339 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -74.36 -29.02 61.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.775 0.321 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -30.74 66.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 1.1 t -82.58 -31.36 29.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.487 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -82.97 -29.99 28.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.68 -32.04 59.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -70.81 -45.41 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.658 HG12 HG22 ' A' ' 51' ' ' THR . 11.9 tt -59.05 -29.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 59' ' ' MET . 39.7 m-85 -102.99 1.8 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.454 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -100.01 2.24 43.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.387 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.545 HG21 ' HD3' ' A' ' 52' ' ' PRO . 8.8 t -59.91 131.67 51.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.815 0.34 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.487 1.145 0 CA-C-O 120.882 0.284 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 60.17 31.06 20.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.513 ' HD2' HG21 ' A' ' 103' ' ' THR . 78.4 m80 59.88 85.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 p -176.71 131.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.15 139.34 7.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.33 102.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.64 133.43 55.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -99.04 115.6 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 15.2 t80 -119.23 134.84 54.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 62.53 33.15 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? 64.32 35.34 9.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 8' ' ' ILE . 39.2 t -127.87 136.6 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 110.57 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.34 168.27 29.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mm -105.58 134.66 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 111.061 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.948 HD11 HD21 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.09 151.11 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.68 129.02 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.599 HG23 HD12 ' A' ' 42' ' ' LEU . 30.0 mt -98.97 135.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -102.77 97.55 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -84.6 -23.95 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -53.53 -30.96 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.77 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -90.84 146.81 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -57.81 -65.83 1.63 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.656 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.77 ' HD2' HG22 ' A' ' 22' ' ' VAL . 20.6 Cg_endo -60.99 -15.36 38.51 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.801 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . 62.87 150.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -144.82 146.98 32.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.948 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -116.22 107.96 15.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -98.02 136.76 37.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.66 ' O ' HG23 ' A' ' 37' ' ' VAL . 50.2 t90 -128.39 117.53 21.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 137.28 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 t -59.01 157.79 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -58.93 -31.42 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -96.09 -44.24 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.21 46.79 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.62 -42.32 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -127.14 125.23 40.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.6 p -139.39 137.38 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.6 t-80 -144.0 150.64 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.5 m -127.14 146.09 50.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.05 146.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.797 ' O ' HG22 ' A' ' 44' ' ' THR . 21.5 t -73.89 128.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 104' ' ' LEU . 18.9 mt -80.62 -29.83 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -58.52 -39.66 80.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 41' ' ' VAL . 13.3 t -59.23 -27.39 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.57 151.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -124.92 -50.26 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -130.1 132.91 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.571 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.715 HD21 ' HG2' ' A' ' 105' ' ' GLN . 4.0 pp -120.84 136.24 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.0 164.2 21.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.73 167.18 29.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.5 p -87.42 150.77 49.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.42 164.47 35.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.579 2.186 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.45 68.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -66.39 -31.3 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.3 t -60.18 127.29 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.11 -31.16 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 117.79 34.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -90.93 118.86 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mtm -145.42 164.83 30.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 61' ' ' ARG . 1.3 tt -132.18 160.23 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.74 142.5 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 104' ' ' LEU . 11.2 mt -124.68 142.38 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG23 ' HG2' ' A' ' 86' ' ' ARG . 10.9 mm -117.45 111.11 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.67 -174.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.589 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -101.4 134.65 44.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 84' ' ' PRO . 4.1 m -104.89 148.19 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.49 91.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -132.64 -74.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.7 30.95 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.784 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -158.77 -45.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.36 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.422 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.715 ' HD3' HG12 ' A' ' 81' ' ' VAL . 13.8 mmt180 -86.04 102.89 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.041 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.4 mttt 64.18 130.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -97.35 31.04 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 58.71 106.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 59.44 91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.91 -19.5 1.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.689 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 65.92 103.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -157.23 69.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -65.12 152.96 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.715 HG12 ' HD3' ' A' ' 72' ' ' ARG . 10.6 p -54.54 137.13 62.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 83' ' ' LYS . 85.7 Cg_endo -78.03 55.31 5.26 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.515 2.143 . . . . 0.0 112.646 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 82' ' ' PRO . 0.0 OUTLIER 52.67 157.02 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.781 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.509 ' HA ' HG12 ' A' ' 66' ' ' VAL . 72.4 Cg_endo -77.19 -168.09 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.531 2.154 . . . . 0.0 112.33 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -140.02 130.02 24.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HG2' HG23 ' A' ' 63' ' ' ILE . 58.5 mtt180 -150.03 117.96 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -120.15 140.13 51.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.3 ptm -121.06 122.4 40.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 17.7 m-85 -110.5 164.46 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.51 157.37 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -145.54 147.71 32.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.15 -31.66 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.53 145.11 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.1 m -60.09 -47.82 84.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.91 -41.26 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -60.29 -32.68 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -75.5 -31.73 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.65 -39.96 94.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.646 HG22 ' CD1' ' A' ' 104' ' ' LEU . 31.6 mm -68.72 -55.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.5 ttmm -58.17 -49.16 77.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.5 -52.35 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 107' ' ' ILE . 87.6 m -61.11 -40.73 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 107' ' ' ILE . 22.0 mt -59.94 -46.38 89.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.715 ' HG2' HD21 ' A' ' 48' ' ' LEU . 3.8 mm100 -59.46 -30.67 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -76.6 -42.26 43.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 104' ' ' LEU . 6.5 mt -62.39 -39.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.69 ' CD1' HD23 ' A' ' 48' ' ' LEU . 18.1 mt -72.68 -36.9 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -67.85 -31.97 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.14 -41.19 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -93.52 9.78 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -46.59 54.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.2 -75.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.46 66.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.4 tp -135.02 11.61 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.361 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.28 -30.39 54.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.868 0.365 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -59.47 -43.0 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 8.4 m -79.75 -36.28 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -73.4 -25.69 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.08 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.89 -27.69 36.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.058 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 460' ' ' TYR . . . . . 0.728 ' HD1' HG23 ' B' ' 464' ' ' THR . 0.1 OUTLIER -83.08 -39.77 20.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.124 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 9.5 tt -56.69 -28.65 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.374 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 48.9 m-85 -102.18 -29.01 11.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.11 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.3 -27.8 56.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.728 HG23 ' HD1' ' B' ' 460' ' ' TYR . 1.0 OUTLIER -56.91 148.35 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.065 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.173 0 CA-C-O 120.808 0.253 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 p -128.4 78.76 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 103' ' ' THR . 1.8 m80 60.15 96.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -177.21 140.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.446 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -157.62 146.4 13.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.04 118.17 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.054 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.23 134.64 42.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mp -102.16 129.9 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 89' ' ' PHE . 10.9 t80 -130.46 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 tt0 61.0 43.9 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 60.09 35.47 21.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 8' ' ' ILE . 48.4 t -127.12 132.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 32' ' ' THR . 77.6 p -86.15 119.01 25.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.82 172.33 33.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.6 135.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.669 ' CD1' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.0 129.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.9 124.27 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.705 HG12 HD23 ' A' ' 27' ' ' LEU . 22.8 mt -89.82 136.75 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -103.34 109.44 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.47 -25.06 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.39 -30.97 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.892 0.377 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.852 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.4 p -97.83 145.62 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.76 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.521 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER -58.24 -67.54 0.91 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 22' ' ' VAL . 86.0 Cg_exo -43.91 -28.89 2.29 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.336 2.024 . . . . 0.0 112.579 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.52 121.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.744 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.74 146.24 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.705 HD23 HG12 ' A' ' 18' ' ' ILE . 3.4 tm? -108.49 111.03 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.436 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.411 HG23 ' OG1' ' A' ' 39' ' ' THR . 0.5 OUTLIER -97.72 148.9 22.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.182 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.477 ' O ' HG23 ' A' ' 37' ' ' VAL . 60.6 t90 -139.75 107.54 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.574 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 132.52 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.3 p -59.42 156.3 13.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 13' ' ' SER . 41.3 p -57.7 -38.9 76.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -30.86 45.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 39.15 5.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.6 -32.22 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -125.64 126.31 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.0 p -148.75 143.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -145.1 150.61 37.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' HG23 ' A' ' 28' ' ' THR . 29.7 m -117.96 145.19 44.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.3 p -142.15 123.75 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.683 ' HB ' HG23 ' A' ' 44' ' ' THR . 39.0 t -61.06 119.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.721 ' CD1' HD13 ' A' ' 107' ' ' ILE . 33.9 mt -64.02 -28.95 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.408 ' H ' HG12 ' A' ' 41' ' ' VAL . 26.2 t -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.683 HG23 ' HB ' ' A' ' 41' ' ' VAL . 33.3 p -66.65 -27.17 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.984 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.704 HD12 HD23 ' A' ' 62' ' ' LEU . 35.3 mm -57.89 154.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.052 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 45' ' ' ILE . 8.9 t0 -115.63 -54.83 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -139.77 171.3 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.981 HD11 HD12 ' A' ' 108' ' ' ILE . 4.9 mp -125.36 140.76 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.574 ' HG3' HG21 ' B' ' 465' ' ' THR . 1.4 tt0 -152.6 139.43 18.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.014 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.722 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -142.49 167.22 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.483 HG22 HG12 ' B' ' 461' ' ' ILE . 16.2 p -79.18 154.24 77.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 151.58 68.08 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.534 2.156 . . . . 0.0 112.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -28.78 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 m -66.36 -30.2 70.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -59.23 150.44 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.19 -47.63 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 127.38 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.7 mtm -96.97 113.75 25.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 77.5 mtm -151.41 165.69 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.722 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 2.8 tt -135.31 140.38 45.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HB2' ' CG ' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -116.98 112.0 20.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -90.73 142.53 27.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.958 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' CG ' ' A' ' 86' ' ' ARG . 30.5 mm -111.46 140.54 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.37 163.32 16.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -74.58 166.88 22.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.75 HG22 ' HD3' ' A' ' 84' ' ' PRO . 20.5 t -83.67 158.63 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.475 ' N ' HG12 ' A' ' 66' ' ' VAL . 2.2 m-20 -158.35 104.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -101.39 37.46 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.5 p -127.76 36.79 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -147.32 -46.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.19 -173.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 150.44 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 tttp 61.56 110.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.1 -62.48 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -133.62 -65.19 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -163.78 86.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.71 68.45 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -174.34 112.61 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -77.58 102.28 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 t -100.07 137.93 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG13 ' HD2' ' A' ' 82' ' ' PRO . 23.6 t -122.7 136.65 26.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.024 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.7 Cg_endo -69.03 62.46 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.533 2.156 . . . . 0.0 112.281 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.08 157.75 35.09 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.75 ' HD3' HG22 ' A' ' 66' ' ' VAL . 18.7 Cg_endo -58.27 129.84 34.82 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.539 2.159 . . . . 0.0 112.177 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -57.58 176.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.014 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.477 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -165.99 101.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -121.13 129.12 53.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 149.87 32.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 9' ' ' PHE . 88.0 m-85 -122.6 162.57 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -106.66 153.09 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -150.45 169.06 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -137.23 31.4 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.658 ' OD1' HG23 ' A' ' 96' ' ' VAL . 1.4 t-20 -154.01 141.26 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -31.27 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.2 m -80.17 -45.96 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.658 HG23 ' OD1' ' A' ' 93' ' ' ASN . 26.4 t -62.59 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.81 -31.57 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.6 -31.92 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.62 -41.73 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.775 HG22 HD13 ' A' ' 104' ' ' LEU . 28.2 mm -68.77 -54.65 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -58.85 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.3 ttp -58.82 -43.87 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 3' ' ' HIS . 87.1 m -71.47 -28.25 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.782 ' HA ' HD12 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -77.94 -29.33 49.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.894 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.752 ' HG2' HD13 ' A' ' 48' ' ' LEU . 11.2 mt-30 -72.03 -30.34 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -73.93 -28.7 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.6 mt -72.85 -39.98 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.981 HD12 HD11 ' A' ' 48' ' ' LEU . 25.7 mt -75.32 -37.44 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -65.27 -31.34 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -74.71 -31.91 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -101.06 10.3 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.322 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -78.49 -43.91 25.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.99 10.75 30.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.324 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 55.34 35.82 25.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.858 0.361 . . . . 0.0 111.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.909 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.76 -30.98 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -59.43 -39.03 82.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.24 -51.71 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 29.1 p -73.34 -29.56 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.463 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -57.96 -27.35 63.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.44 -28.76 46.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -86.74 -42.29 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.483 HG12 HG22 ' A' ' 51' ' ' THR . 9.7 tt -56.09 -29.04 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.295 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.45 ' CG ' ' HB2' ' A' ' 61' ' ' ARG . 37.2 m-85 -105.64 12.3 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.393 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -54.38 3.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 2.1 m -59.48 145.8 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 465' ' ' THR . . . . . 0.574 HG21 ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 N--CA 1.488 1.19 0 CA-C-O 120.788 0.245 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -110.44 -73.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -106.76 39.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.9 p -165.26 148.35 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.05 143.15 9.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.49 100.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.04 137.24 51.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mp -98.53 137.37 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 13.0 t80 -135.83 116.69 14.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.7 mt-10 62.96 51.73 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.67 30.19 18.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.158 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 8' ' ' ILE . 58.3 t -121.54 127.63 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.2 108.82 17.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.4 169.73 25.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 mm -108.23 135.24 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.011 HD11 HD21 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -101.05 144.87 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 119.68 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.8 mt -89.37 136.13 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -106.37 110.82 23.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.48 29.13 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.31 -32.19 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.916 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -104.35 148.39 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.84 -64.97 0.9 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' A' ' 22' ' ' VAL . 18.0 Cg_endo -59.22 -17.74 40.86 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.585 2.19 . . . . 0.0 112.581 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.691 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 62.52 169.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.978 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG2' HG22 ' A' ' 41' ' ' VAL . 41.4 mt-10 -156.66 146.08 20.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.011 HD21 HD11 ' A' ' 16' ' ' ILE . 6.7 tt -113.63 112.61 23.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -97.78 147.97 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.695 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.4 t90 -137.77 107.58 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -106.13 125.53 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -57.68 160.87 4.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -58.15 -32.12 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -96.85 -38.97 9.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.95 45.5 1.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.7 -40.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -119.27 121.22 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 29' ' ' TRP . 14.5 p -147.39 139.31 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -144.24 150.64 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.27 108.97 17.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.52 129.8 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.866 ' O ' HG22 ' A' ' 44' ' ' THR . 32.7 t -75.46 120.04 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.941 HD22 HD21 ' A' ' 104' ' ' LEU . 68.3 mt -55.87 -25.46 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.617 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -56.23 -31.6 63.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.866 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.5 t -65.51 -27.89 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.26 152.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -124.89 -51.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CG ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.06 171.41 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 105' ' ' GLN . 3.6 mt -128.04 125.01 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -143.0 136.01 28.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.954 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -133.27 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.552 HG22 HG12 ' B' ' 461' ' ' ILE . 18.1 p -72.42 153.42 91.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 152.32 68.81 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.98 -28.88 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -58.7 135.38 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.09 -37.88 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 137.64 41.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -101.88 125.52 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.2 mtm -150.72 165.67 32.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 50' ' ' ALA . 1.8 mt -127.84 153.35 46.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.3 ttt180 -138.1 143.8 40.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 HD23 ' A' ' 48' ' ' LEU . 4.9 mt -124.62 140.21 53.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' HD3' ' A' ' 86' ' ' ARG . 42.4 mm -105.28 123.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 170.28 18.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -95.62 159.55 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 m -102.87 179.75 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -150.46 116.31 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -122.81 54.49 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -114.38 -54.22 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' HB2' HG21 ' A' ' 81' ' ' VAL . 26.6 mttt -94.38 -71.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 59.96 -169.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 63.55 124.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -95.64 88.47 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.14 158.86 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.024 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -66.93 -14.6 62.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.365 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -51.78 -29.52 19.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.56 78.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.534 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 p30 44.07 101.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.055 0.455 . . . . 0.0 111.795 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -117.87 52.4 1.0 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.843 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG11 ' HG3' ' A' ' 83' ' ' LYS . 6.0 t -69.28 161.99 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.5 ' HB ' ' CD ' ' A' ' 82' ' ' PRO . 31.0 t -147.17 -64.59 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.352 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.5 ' CD ' ' HB ' ' A' ' 81' ' ' VAL . 51.7 Cg_endo -67.25 63.79 0.7 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.364 2.042 . . . . 0.0 112.456 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.511 ' HG3' HG11 ' A' ' 80' ' ' VAL . 3.3 mttt -108.94 91.73 9.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.12 140.71 50.3 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.51 2.14 . . . . 0.0 112.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -129.73 173.62 10.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.638 ' HD3' HD12 ' A' ' 63' ' ' ILE . 11.7 mtt-85 -152.31 115.54 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -101.72 121.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.6 ptm -110.92 141.81 43.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -126.96 164.33 21.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -113.57 154.84 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -146.89 170.59 16.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -131.87 31.06 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.597 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.1 m120 -171.0 127.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -72.94 -31.48 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.8 m -76.16 -34.97 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.597 HG23 ' HB3' ' A' ' 93' ' ' ASN . 22.0 t -76.16 -52.36 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.673 ' HB2' HD12 ' A' ' 60' ' ' LEU . 2.2 ppp? -60.32 -33.81 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -31.36 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.52 -28.09 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.8 mm -73.52 -51.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.17 -47.36 85.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.3 ptp -58.55 -31.21 67.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.4 m -83.68 -26.08 30.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.941 HD21 HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -81.74 -27.38 33.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.648 ' HB3' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -78.1 -30.53 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -73.29 -29.62 62.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 42' ' ' LEU . 14.3 mt -76.32 -41.88 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.4 mt -73.85 -33.4 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.3 p -62.5 -28.49 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -89.4 -27.14 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 14.9 m-30 -95.64 -11.91 26.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.7 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -70.41 -29.26 65.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -108.28 -32.71 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.32 82.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.857 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.69 11.63 37.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.79 -46.49 6.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.93 -42.7 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 457' ' ' SER . . . . . 0.422 ' O ' HG22 ' B' ' 461' ' ' ILE . 68.5 m -59.86 -31.32 69.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -29.06 64.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -83.45 -27.19 29.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -92.4 -34.75 14.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 51' ' ' THR . 11.7 tt -58.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.478 ' N ' HG23 ' B' ' 461' ' ' ILE . 64.2 m-85 -91.59 12.19 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.398 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -92.48 -37.0 12.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 1.1 m -60.03 157.77 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.488 1.181 0 CA-C-O 120.853 0.272 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 p -132.03 121.84 24.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.1 m80 61.2 155.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m 60.17 159.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.11 164.87 31.54 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.85 121.46 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.0 mp -101.85 117.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 14.9 t80 -121.53 134.72 55.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.18 35.17 15.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.95 31.66 13.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 8' ' ' ILE . 46.3 t -125.69 133.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.8 p -81.58 117.08 21.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -153.09 168.58 31.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.8 mm -105.54 136.56 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.037 HD11 HD21 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.14 134.59 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.046 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.67 115.89 22.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -89.11 133.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -109.05 97.46 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -105.92 27.73 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.11 -30.84 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.734 HG23 ' H ' ' A' ' 25' ' ' ALA . 10.8 m -83.85 -178.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.06 -60.86 2.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.348 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 62.5 Cg_endo -73.33 -33.13 7.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.532 2.154 . . . . 0.0 112.747 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.734 ' H ' HG23 ' A' ' 22' ' ' VAL . . . 64.18 132.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG2' HG22 ' A' ' 41' ' ' VAL . 32.0 mt-10 -132.51 169.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 111.441 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.037 HD21 HD11 ' A' ' 16' ' ' ILE . 5.7 tt -123.82 116.0 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.552 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.409 ' HA ' HG23 ' A' ' 39' ' ' THR . 2.6 m -97.71 150.72 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.123 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.2 t90 -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -111.06 136.96 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 t -59.39 144.25 47.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' HA2' ' A' ' 14' ' ' GLY . 17.6 p -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -168.58 76.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.97 -111.47 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -174.42 36.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 119.79 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.2 p -132.95 139.27 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -132.83 147.31 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -127.91 147.84 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -141.52 120.9 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.887 ' O ' HG22 ' A' ' 44' ' ' THR . 42.1 t -76.75 103.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.925 HD22 HD21 ' A' ' 104' ' ' LEU . 68.7 mt -55.38 -23.74 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -42.95 89.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.887 HG22 ' O ' ' A' ' 41' ' ' VAL . 12.9 t -71.11 -27.38 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.19 151.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -122.41 -44.0 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -129.99 166.7 19.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.748 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.2 pp -148.51 115.04 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.86 164.14 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.985 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -148.46 146.48 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 59' ' ' MET . 29.6 p -59.52 149.28 71.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.19 158.23 57.06 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.537 2.158 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.11 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -66.35 -30.23 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -59.44 129.03 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.89 -30.99 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 118.75 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -84.62 122.44 29.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.477 ' C ' HD12 ' A' ' 60' ' ' LEU . 3.4 mtm -142.26 152.28 42.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 10.7 mp -123.64 152.34 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.548 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -145.87 152.09 38.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.649 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -121.68 142.48 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.477 HD11 ' NE ' ' A' ' 61' ' ' ARG . 21.7 mm -98.44 139.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.79 163.96 48.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -69.39 162.31 27.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.737 HG22 ' HB3' ' A' ' 84' ' ' PRO . 11.6 t -131.3 159.66 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.467 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -140.47 55.97 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HA ' HG21 ' A' ' 81' ' ' VAL . 3.1 pt-20 -85.07 71.14 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.98 29.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -160.44 -77.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HB3' HG23 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -61.08 139.05 58.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.97 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -146.37 170.48 16.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 83.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -148.24 108.69 4.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 177.87 -77.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.759 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.53 36.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.21 38.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.23 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 50.71 97.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.029 0.443 . . . . 0.0 111.386 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.74 63.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.546 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.0 m -40.46 156.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.891 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 71' ' ' LYS . 11.0 p -55.04 137.71 66.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.386 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 81' ' ' VAL . 12.6 Cg_exo -39.68 90.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.462 2.774 . . . . 0.0 112.968 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.1 ttmt -45.11 142.58 2.79 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.174 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.737 ' HB3' HG22 ' A' ' 66' ' ' VAL . 58.3 Cg_endo -71.49 -171.26 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.563 2.176 . . . . 0.0 112.393 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -129.45 147.8 51.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' HG3' HG23 ' A' ' 63' ' ' ILE . 2.5 mpt_? -131.34 107.09 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -101.82 143.24 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.781 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.76 139.12 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.57 163.16 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.82 138.53 45.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.84 170.9 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -138.33 34.31 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.63 ' HB3' HG23 ' A' ' 96' ' ' VAL . 15.3 m-20 -167.67 141.29 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -82.42 -38.14 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.32 -31.09 62.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 93' ' ' ASN . 24.8 t -74.25 -36.7 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 60' ' ' LEU . 5.8 ptm -77.98 -31.29 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.37 -31.13 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -74.51 -30.35 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mm -75.47 -51.13 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.748 ' HG3' HD13 ' A' ' 48' ' ' LEU . 6.2 ttpp -60.24 -45.92 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -58.73 -31.5 68.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.975 HG22 HD11 ' A' ' 107' ' ' ILE . 81.1 m -72.46 -52.93 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.925 HD21 HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -58.63 -41.08 85.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.666 ' HG2' HD11 ' A' ' 48' ' ' LEU . 4.7 mm100 -58.48 -30.62 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -86.73 -43.31 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 103' ' ' THR . 13.7 mt -63.77 -44.32 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.039 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.524 HD11 HD23 ' A' ' 104' ' ' LEU . 16.1 mt -71.47 -30.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -82.84 -31.03 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 mtp-105 -71.87 -34.47 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 22.9 m-85 -91.08 10.75 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.337 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -97.51 -35.17 10.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.96 -31.4 39.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.54 77.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.867 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.322 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.32 -31.11 7.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -89.0 -29.47 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -59.3 -50.49 73.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 73.6 m -60.91 -31.24 70.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.667 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.2 OUTLIER -86.06 -22.46 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.105 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.6 -28.07 56.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 460' ' ' TYR . . . . . 0.58 ' O ' HG23 ' B' ' 464' ' ' THR . 0.1 OUTLIER -64.75 -46.48 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.667 HG22 ' O ' ' B' ' 458' ' ' TRP . 11.5 tt -56.86 -25.06 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.45 ' CD2' HG23 ' B' ' 461' ' ' ILE . 40.1 m-85 -100.46 -30.56 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.24 -31.44 60.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.58 HG23 ' O ' ' B' ' 460' ' ' TYR . 80.9 p -75.7 107.45 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo . . . . . 0 N--CA 1.489 1.245 0 CA-C-O 120.813 0.255 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -133.58 79.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 60.2 77.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.7 p -176.85 140.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.02 135.61 3.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -62.21 101.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.672 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -113.61 142.66 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 12' ' ' VAL . 4.0 mp -107.77 124.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 4.7 t80 -124.0 128.87 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.2 tt0 59.62 43.98 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.32 30.39 19.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.048 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 8' ' ' ILE . 57.1 t -122.33 129.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.29 120.0 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.64 170.55 33.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.63 136.03 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.94 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 tt -101.1 151.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.73 127.68 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mt -97.31 135.53 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -116.96 115.12 24.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.6 29.69 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.95 -31.98 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.787 HG22 ' HD2' ' A' ' 24' ' ' PRO . 7.8 p -120.17 151.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.527 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -46.46 -59.63 4.76 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.761 -179.329 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.787 ' HD2' HG22 ' A' ' 22' ' ' VAL . 33.3 Cg_exo -57.74 -18.45 33.82 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.359 2.04 . . . . 0.0 112.533 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 41' ' ' VAL . . . 68.37 174.94 0.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' OE1' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -153.45 132.96 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.193 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -114.76 107.96 16.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.432 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.481 ' HA ' HG23 ' A' ' 39' ' ' THR . 2.0 m -98.14 136.87 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.695 ' O ' HG23 ' A' ' 37' ' ' VAL . 70.2 t90 -129.26 107.49 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.687 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -107.98 140.38 41.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.7 p -58.17 157.31 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.9 -61.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.61 62.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -132.1 -60.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -102.15 136.29 42.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.9 p -148.75 139.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -137.88 144.78 41.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -127.93 138.77 52.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 HD22 ' A' ' 27' ' ' LEU . 10.6 p -142.14 130.23 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 44' ' ' THR . 28.1 t -68.24 118.78 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.518 HD22 ' HG ' ' A' ' 104' ' ' LEU . 66.7 mt -58.29 -23.7 57.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.609 ' H ' HG12 ' A' ' 41' ' ' VAL . 1.1 t -56.86 -31.62 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.141 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.874 HG22 ' O ' ' A' ' 41' ' ' VAL . 15.0 t -66.3 -29.18 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.004 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 62' ' ' LEU . 42.3 mm -59.9 151.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -124.87 -49.94 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -130.04 162.49 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.853 HD11 HD12 ' A' ' 108' ' ' ILE . 5.5 mp -123.16 141.94 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -152.61 130.9 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -138.9 167.23 22.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 HG12 ' B' ' 461' ' ' ILE . 14.3 p -75.56 154.18 85.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.803 ' HD3' HG23 ' B' ' 465' ' ' THR . 49.0 Cg_endo -68.81 160.54 49.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.571 2.18 . . . . 0.0 112.301 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.55 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.36 -31.54 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.6 p -61.86 142.63 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -80.81 -51.87 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -76.28 93.24 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.65 113.33 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mtm -147.27 165.76 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.69 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -136.53 164.5 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' N ' HD23 ' A' ' 60' ' ' LEU . 13.8 ttp85 -145.78 112.49 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.609 HD12 ' HE2' ' A' ' 89' ' ' PHE . 6.8 mt -92.85 142.02 27.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 86' ' ' ARG . 6.3 mm -115.5 107.39 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 169.22 40.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.557 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -84.56 149.29 26.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.43 159.22 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -140.45 109.01 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.79 -31.12 14.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 m -81.04 -31.35 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -92.77 -61.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.43 117.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -79.81 133.51 36.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -106.61 83.61 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -130.81 34.15 4.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -106.12 -48.37 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.29 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.25 61.93 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -176.63 128.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -76.09 102.62 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 81' ' ' VAL . 11.1 p -138.46 155.55 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 81' ' ' VAL . 9.9 p -93.76 105.28 15.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.17 61.69 3.3 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.461 2.107 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt 59.93 160.4 0.1 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.53 138.31 41.67 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.593 2.195 . . . . 0.0 112.282 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -60.0 127.98 34.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HG2' HD12 ' A' ' 63' ' ' ILE . 87.8 mtt180 -148.92 99.52 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -115.4 154.5 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.436 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.0 ppp? -136.32 150.06 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.609 ' HE2' HD12 ' A' ' 62' ' ' LEU . 74.0 m-85 -136.16 126.0 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.437 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -82.13 153.13 26.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.672 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 14.5 m-85 -143.51 166.62 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -130.7 34.33 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -167.41 128.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -68.59 -40.97 80.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.0 t -67.25 -39.61 86.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.3 t -73.58 -38.85 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.018 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.7 ttp -71.84 -33.64 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -31.72 71.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -66.28 -37.54 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.643 HG22 HD13 ' A' ' 104' ' ' LEU . 30.4 mm -68.79 -54.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -58.79 -42.1 88.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.4 ttp -64.95 -44.48 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.888 HG22 HD11 ' A' ' 107' ' ' ILE . 84.4 m -65.63 -48.82 70.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.762 ' HA ' HD12 ' A' ' 107' ' ' ILE . 4.8 mp -60.14 -41.85 93.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.662 ' HG2' HD13 ' A' ' 48' ' ' LEU . 15.0 mt-30 -59.41 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -81.16 -40.67 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.888 HD11 HG22 ' A' ' 103' ' ' THR . 7.1 mt -64.42 -42.77 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 48' ' ' LEU . 17.0 mt -72.51 -40.59 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 m -69.87 -31.51 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.55 -31.68 72.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 107' ' ' ILE . 4.8 m-85 -97.72 9.16 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.367 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -98.48 -31.68 11.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -99.92 -31.64 11.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -101.92 -47.18 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.942 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -174.46 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -71.98 -30.84 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -60.33 -51.75 68.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 21.1 p -70.5 -31.85 69.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.473 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -60.37 -31.97 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.73 -33.83 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.02 -44.07 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.48 HG12 HG22 ' A' ' 51' ' ' THR . 10.4 tt -64.02 -26.0 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.425 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.437 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 28.8 m-85 -99.29 -28.71 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.236 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -85.48 -41.07 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 5.8 m -90.8 119.38 30.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 465' ' ' THR . . . . . 0.803 HG23 ' HD3' ' A' ' 52' ' ' PRO . 63.3 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.171 0 CA-C-O 120.831 0.263 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.81 36.93 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.447 ' CG ' HG21 ' A' ' 103' ' ' THR . 14.8 m-70 -94.69 94.13 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -163.57 163.57 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' HA3' HG13 ' A' ' 96' ' ' VAL . . . -173.92 156.92 24.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.45 107.25 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.787 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -127.39 156.29 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.005 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.78 HG23 ' O ' ' A' ' 12' ' ' VAL . 26.1 mt -130.64 115.69 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.482 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.5 t80 -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 60.98 30.91 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.95 37.83 9.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.034 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 8' ' ' ILE . 55.7 t -128.37 129.37 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.426 ' C ' HG23 ' A' ' 32' ' ' THR . 10.2 m -75.35 121.69 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.06 -177.23 34.93 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.0 mm -112.74 128.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.898 HG12 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.12 125.79 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.59 136.95 43.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.536 HG21 HD11 ' A' ' 107' ' ' ILE . 29.1 mt -89.18 135.03 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -107.55 112.22 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.98 26.52 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -97.78 22.66 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.896 HG22 ' HD2' ' A' ' 24' ' ' PRO . 9.6 p -154.23 146.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -44.29 -69.57 0.22 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.892 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.896 ' HD2' HG22 ' A' ' 22' ' ' VAL . 56.6 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.119 1.88 . . . . 0.0 111.469 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.07 118.97 1.08 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.732 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -121.7 147.57 45.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.094 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.898 HD21 HG12 ' A' ' 16' ' ' ILE . 7.3 tt -111.79 130.2 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -99.04 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.686 ' O ' HG23 ' A' ' 37' ' ' VAL . 29.1 t90 -142.53 112.28 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.729 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -115.6 132.35 56.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 p -58.1 154.67 12.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 13' ' ' SER . 43.6 p -57.64 -48.49 79.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.96 -31.62 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.21 44.08 4.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -115.58 -38.78 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.19 135.97 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.8 p -148.05 127.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -127.7 150.57 49.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 147.77 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.8 p -135.8 112.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.486 ' HB ' HG23 ' A' ' 44' ' ' THR . 21.3 t -64.72 104.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.06 HD22 HD21 ' A' ' 104' ' ' LEU . 48.6 mt -60.39 -28.04 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -56.57 -30.48 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.486 HG23 ' HB ' ' A' ' 41' ' ' VAL . 43.8 p -68.81 -28.76 67.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 46' ' ' ASP . 37.4 mm -61.48 154.55 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 45' ' ' ILE . 17.1 t0 -119.59 -49.76 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.06 158.81 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.82 HD13 ' HG3' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -108.44 140.87 41.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -143.53 143.65 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.936 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -151.47 162.34 41.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 HG12 ' B' ' 461' ' ' ILE . 16.3 p -69.15 154.07 95.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 161.81 44.46 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.587 2.192 . . . . 0.0 112.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -66.38 -32.03 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 123.16 17.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.01 -32.17 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 110.31 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtm -86.43 118.35 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -141.89 162.71 34.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 50' ' ' ALA . 13.8 tp -129.62 147.31 51.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.2 ttt180 -145.85 133.18 20.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.634 ' N ' HD22 ' A' ' 62' ' ' LEU . 2.1 mm? -104.1 142.51 34.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.575 HD12 ' HG2' ' A' ' 86' ' ' ARG . 23.7 mm -107.24 99.91 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.96 172.74 6.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.85 -177.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.344 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.902 HG21 HG11 ' A' ' 80' ' ' VAL . 12.6 p -110.48 151.54 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.14 80.56 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -59.06 -31.46 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.7 t -62.52 -31.27 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -79.98 -74.49 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -132.58 145.43 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -154.59 107.09 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.784 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt 43.32 92.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.384 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.28 110.23 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 54.84 26.18 7.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 54.65 24.19 5.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.85 -20.7 25.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -163.14 115.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.677 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.57 90.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.902 HG11 HG21 ' A' ' 66' ' ' VAL . 11.4 t 64.18 131.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' HD3' ' A' ' 82' ' ' PRO . 2.4 t -87.76 -48.64 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.448 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.584 ' HD2' HG12 ' A' ' 80' ' ' VAL . 25.3 Cg_exo -63.27 -156.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.394 2.063 . . . . 0.0 112.097 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.03 144.13 39.79 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.36 -168.11 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.542 2.161 . . . . 0.0 112.293 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.84 154.28 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.575 ' HG2' HD12 ' A' ' 63' ' ' ILE . 84.5 mtt180 -144.14 123.38 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -115.01 117.29 30.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.426 ' HE1' ' HE1' ' B' ' 458' ' ' TRP . 5.0 ppp? -101.52 149.46 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 64.2 m-85 -131.63 154.06 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.92 128.93 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -127.28 170.53 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -141.54 31.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.589 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.3 m120 -169.91 123.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -37.46 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 m -61.41 -33.06 73.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.4 t -74.12 -50.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -60.38 -32.71 71.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -63.31 -36.89 85.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -72.76 -39.77 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.903 HG22 HD12 ' A' ' 104' ' ' LEU . 29.8 mm -69.69 -54.83 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.4 ttmt -57.97 -49.06 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.61 -50.95 71.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.447 HG21 ' CG ' ' A' ' 3' ' ' HIS . 86.2 m -62.63 -41.48 99.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 1.06 HD21 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -59.34 -40.54 86.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.82 ' HG3' HD13 ' A' ' 48' ' ' LEU . 23.4 mt-30 -61.09 -31.07 70.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -72.32 -31.21 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.536 HD11 HG21 ' A' ' 18' ' ' ILE . 34.4 mt -74.12 -34.93 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.748 HD12 HD12 ' A' ' 48' ' ' LEU . 27.1 mt -77.28 -41.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 p -67.76 -31.4 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -71.56 -32.13 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 107' ' ' ILE . 23.3 m-85 -91.87 11.25 25.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.305 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -94.23 -34.31 12.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.43 11.46 12.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.329 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.71 36.82 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.81 0.338 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.884 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.55 11.57 17.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.303 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.29 9.48 31.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.51 -52.01 67.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.08 -31.32 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.518 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.0 OUTLIER -59.83 -30.8 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.22 -38.81 85.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.99 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 458' ' ' TRP . 11.4 tt -60.88 -29.33 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 41.8 m-85 -103.89 12.1 34.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.0 2.35 43.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.363 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 33.1 m -71.09 128.82 37.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo . . . . . 0 N--CA 1.488 1.17 0 CA-C-O 120.82 0.258 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.486 ' HG ' ' CE1' ' A' ' 3' ' ' HIS . 16.2 t -155.1 123.54 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.486 ' CE1' ' HG ' ' A' ' 2' ' ' SER . 26.2 m80 59.79 39.98 20.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -156.74 141.47 16.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.53 164.0 36.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.541 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.57 123.85 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.628 ' N ' HD12 ' A' ' 8' ' ' ILE . 2.4 mp -109.98 129.31 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 5.8 t80 -103.04 101.75 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 8.3 pt-20 40.16 22.0 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' GLU . 6.0 mttt 158.58 -62.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.7 t -69.73 132.2 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.6 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -110.1 114.67 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.5 -169.58 11.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -108.66 130.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.334 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.927 HD11 HD21 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -101.01 151.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 126.15 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 42' ' ' LEU . 29.7 mt -101.24 134.31 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -104.11 97.86 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' A' ' 103' ' ' THR . 4.2 mt-10 -82.44 -22.63 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.52 -30.0 28.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.823 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -93.89 146.66 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.5 m -56.42 -66.08 1.32 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.663 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.823 ' HD2' HG22 ' A' ' 22' ' ' VAL . 23.2 Cg_endo -61.56 -14.31 34.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 112.77 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . 63.76 154.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.88 137.34 26.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.927 HD21 HD11 ' A' ' 16' ' ' ILE . 6.6 tt -114.06 107.94 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -100.93 135.91 41.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.074 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.754 ' O ' HG23 ' A' ' 37' ' ' VAL . 60.1 t90 -123.65 110.78 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -106.52 138.5 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.54 144.3 57.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 m -60.12 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -148.45 83.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.41 -127.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -160.18 31.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.74 118.91 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.0 p -141.22 137.84 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -130.52 148.44 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -127.93 132.16 49.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.456 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.5 p -142.11 122.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.719 ' HB ' HG23 ' A' ' 44' ' ' THR . 25.5 t -60.33 126.54 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.601 HD22 ' CG ' ' A' ' 104' ' ' LEU . 84.9 mt -65.17 -31.21 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.492 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -57.01 -28.6 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.719 HG23 ' HB ' ' A' ' 41' ' ' VAL . 30.8 p -64.92 -28.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.413 HG13 HD21 ' A' ' 104' ' ' LEU . 40.7 mm -57.82 152.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -122.5 -40.61 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -130.03 169.92 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD23 HD23 ' A' ' 62' ' ' LEU . 24.9 mt -135.45 112.93 10.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.8 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.58 131.12 43.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -146.13 167.25 23.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.749 HG22 ' O ' ' B' ' 461' ' ' ILE . 12.4 p -83.2 147.21 53.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.44 165.53 32.41 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.542 2.161 . . . . 0.0 112.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.88 -29.77 67.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -66.44 -31.28 71.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.8 p -60.04 153.27 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -79.74 -40.47 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -95.57 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mtp -80.36 113.38 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.572 ' O ' HG23 ' A' ' 51' ' ' THR . 51.5 mtm -151.53 163.44 39.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.625 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 7.5 tt -133.36 159.29 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.552 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.6 ttt180 -145.83 135.76 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD23 HD23 ' A' ' 48' ' ' LEU . 6.2 mt -113.85 142.54 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.749 HD12 ' HG2' ' A' ' 86' ' ' ARG . 11.1 mm -113.36 120.52 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.39 164.04 43.35 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -60.28 168.13 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 67' ' ' ASP . 11.1 p -131.41 158.16 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.488 ' N ' HG22 ' A' ' 66' ' ' VAL . 5.9 m-20 -132.14 105.77 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -129.12 104.22 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -157.9 -70.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -43.6 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mttp 62.11 111.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -127.37 -165.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.607 ' HB3' HG12 ' A' ' 80' ' ' VAL . 17.5 mmtt 62.91 83.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -176.92 108.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 61.35 60.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -178.07 -71.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 78' ' ' ASN . . . -132.04 104.91 0.58 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.421 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 77' ' ' GLY . 8.5 p30 45.34 102.4 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 111.684 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -64.63 122.5 16.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.934 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 73' ' ' LYS . 10.4 p -160.25 158.13 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.476 ' N ' HG22 ' A' ' 80' ' ' VAL . 31.2 t -120.32 136.24 25.04 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD2' HG13 ' A' ' 81' ' ' VAL . 74.1 Cg_endo -75.3 60.52 5.68 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.469 2.113 . . . . 0.0 112.33 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -77.37 162.78 67.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.68 138.0 40.27 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.528 2.152 . . . . 0.0 112.231 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -87.48 108.78 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.749 ' HG2' HD12 ' A' ' 63' ' ' ILE . 33.3 mtm180 -109.44 110.88 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -101.77 129.89 48.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.44 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.3 ptm -110.47 114.69 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -110.41 136.48 49.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -91.71 158.02 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 100' ' ' ILE . 35.2 m-85 -140.67 170.85 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.22 34.19 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.419 ' HB3' HG23 ' A' ' 96' ' ' VAL . 1.0 OUTLIER -169.55 124.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -34.05 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.72 -37.27 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.3 t -79.79 -46.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.418 ' HA ' ' CD2' ' A' ' 91' ' ' PHE . 27.1 ttp -59.99 -32.13 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -82.64 -31.62 28.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.8 -26.77 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.42 HG13 ' CE2' ' A' ' 91' ' ' PHE . 35.1 mm -74.41 -51.65 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -59.02 -47.19 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -58.12 -28.57 64.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.996 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.433 HG23 ' OE2' ' A' ' 20' ' ' GLU . 64.5 m -82.35 -31.27 29.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.817 ' CD2' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -79.9 -42.21 24.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -57.98 -29.14 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -44.83 20.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.7 mt -64.57 -42.38 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.817 HD11 ' CD2' ' A' ' 104' ' ' LEU . 21.1 mt -72.46 -42.44 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 m -68.7 -31.93 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 8.6 mtp85 -70.41 -30.96 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -104.9 9.95 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.368 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -80.56 -52.78 7.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.74 -42.3 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 110' ' ' ARG . . . -60.98 -31.68 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.897 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.899 0.38 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 454' ' ' LEU . . . . . 0.562 HD21 ' CZ2' ' B' ' 458' ' ' TRP . 3.3 tp 68.01 11.7 8.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.433 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.82 -60.64 1.81 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.26 -31.26 71.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 1.3 m -68.96 -47.34 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.712 ' CE3' HD12 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -53.93 -28.1 35.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.4 -21.72 63.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.02 1.71 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.626 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.749 ' O ' HG22 ' A' ' 51' ' ' THR . 41.3 mt -100.13 -33.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.4 m-85 -109.75 8.08 24.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.569 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -100.12 -38.08 8.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.832 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.695 ' O ' HG23 ' B' ' 465' ' ' THR . 5.5 p -60.5 92.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 465' ' ' THR . . . . . 0.695 HG23 ' O ' ' B' ' 464' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.836 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -174.76 -177.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 m80 60.4 39.87 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -167.48 -178.44 3.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.57 160.75 10.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.87 135.83 57.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.863 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -153.26 129.27 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -102.79 120.54 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 7.2 t80 -102.92 114.69 29.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 73.88 -45.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.529 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -179.46 -32.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 43.8 t -69.25 133.84 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 111.239 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.05 116.68 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.3 -171.41 12.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.54 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -108.74 124.56 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.863 HD12 ' CB ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -101.0 129.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.07 121.86 19.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.604 HG23 ' CD1' ' A' ' 42' ' ' LEU . 27.7 mt -89.19 135.17 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -112.95 111.34 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.34 29.91 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -85.71 -34.48 21.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.0 p -98.58 148.03 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.467 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -49.58 -65.35 0.86 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.712 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 22' ' ' VAL . 18.2 Cg_endo -59.1 -18.22 42.57 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.563 2.176 . . . . 0.0 112.605 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.68 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 60.97 156.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.04 141.36 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.854 HD21 HG12 ' A' ' 16' ' ' ILE . 6.5 tt -106.54 118.55 36.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.666 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.85 120.32 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.44 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 35.8 t90 -113.73 109.86 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HG2' HG12 ' A' ' 37' ' ' VAL . 30.5 mtp180 -100.15 144.64 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -75.51 142.22 42.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 m -69.03 -40.61 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.32 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.09 -171.7 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -130.71 71.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.72 125.73 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.649 HG12 ' HG2' ' A' ' 30' ' ' ARG . 33.3 m -108.69 149.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.213 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -127.64 110.59 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.42 118.81 27.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.588 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.6 p -125.69 109.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -59.81 123.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.605 HD22 HD21 ' A' ' 104' ' ' LEU . 96.0 mt -80.38 -27.2 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -32.49 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -63.44 -29.88 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -60.9 152.64 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -121.43 -46.2 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -130.01 157.57 41.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.774 HD11 HD12 ' A' ' 108' ' ' ILE . 4.5 mp -108.34 139.48 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.784 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -140.86 141.97 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.808 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -157.05 166.91 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.548 HG22 HG12 ' B' ' 461' ' ' ILE . 19.0 p -70.35 149.45 95.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.44 156.72 60.96 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 112.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.34 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -66.38 -31.79 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.5 t -73.87 125.18 27.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.55 -31.09 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.587 ' HB3' HD11 ' B' ' 461' ' ' ILE . 0.7 OUTLIER -77.68 117.06 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mtm -106.25 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.4 mtm -151.55 147.92 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.808 HD12 ' HB2' ' A' ' 50' ' ' ALA . 7.8 tp -112.32 132.61 54.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -135.36 124.41 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.652 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.5 OUTLIER -102.9 142.53 33.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mm -102.24 130.49 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.48 165.08 49.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -77.47 128.52 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -78.94 148.33 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -133.49 96.69 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.26 -75.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -77.51 70.32 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -151.55 -59.43 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp 60.31 104.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 80' ' ' VAL . 25.3 ttm180 -85.69 162.96 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -127.87 103.46 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.02 -36.71 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -173.67 36.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 60.49 170.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.58 -28.6 12.7 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -177.03 105.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.22 155.87 16.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 72' ' ' ARG . 17.0 m -96.64 137.58 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG13 ' HG2' ' A' ' 83' ' ' LYS . 10.4 p -73.96 138.27 76.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 81' ' ' VAL . 12.0 Cg_exo -39.87 88.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.463 2.775 . . . . 0.0 113.123 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HG2' HG13 ' A' ' 81' ' ' VAL . 9.1 mmmt -110.52 96.5 27.81 Favored Pre-proline 0 C--N 1.316 -0.886 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.41 125.54 14.0 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.506 2.137 . . . . 0.0 112.426 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -69.16 143.01 54.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -148.28 93.9 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -101.8 129.37 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.432 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 0.2 OUTLIER -112.18 149.91 31.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.462 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 98.0 m-85 -128.72 152.22 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.95 138.53 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -134.39 159.47 40.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -134.39 34.29 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.1 m120 -162.92 113.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -64.4 -31.78 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.7 82.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.7 t -77.15 -33.12 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.43 -35.53 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.93 -41.49 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -60.55 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.87 -54.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HB2' HD11 ' A' ' 60' ' ' LEU . 13.0 ttmt -60.24 -32.32 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.5 ttm -75.35 -43.79 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -61.98 -47.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.606 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 mp -59.61 -44.49 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' HD22 ' A' ' 48' ' ' LEU . 48.7 mt-30 -58.5 -30.1 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.89 52.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.02 -41.97 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.774 HD12 HD11 ' A' ' 48' ' ' LEU . 13.3 mt -71.28 -43.13 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 m -63.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.12 -31.46 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -98.75 10.96 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -79.65 -43.62 22.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.68 11.37 24.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.297 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 56.19 37.13 28.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 111.213 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 2.6 tp -108.03 -29.34 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.84 -31.46 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.11 -31.65 72.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 3.8 t -89.46 -29.1 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -57.65 -28.93 64.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.07 -27.96 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.34 -1.17 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.514 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 57' ' ' LYS . 12.6 tt -99.56 -39.9 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.1 m-85 -88.16 -31.99 18.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -40.82 90.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 24.0 m -62.29 140.77 58.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 42.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo . . . . . 0 N--CA 1.489 1.208 0 CA-C-O 120.931 0.305 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -157.89 32.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 59.87 39.7 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -164.62 166.02 20.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.75 161.75 23.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.474 ' H ' HG11 ' A' ' 96' ' ' VAL . . . -59.81 138.49 57.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.82 127.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.9 mp -102.09 124.13 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 12.6 t80 -127.54 131.46 50.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.34 37.03 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 62.54 36.39 13.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 8' ' ' ILE . 44.3 t -132.84 134.07 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.488 ' O ' HG22 ' A' ' 32' ' ' THR . 0.7 OUTLIER -82.19 127.61 33.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.22 170.81 37.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 mm -105.56 135.46 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.105 HD11 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.06 140.48 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.025 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.93 122.41 18.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mt -89.19 134.52 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -100.96 113.71 26.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -101.45 27.73 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.39 -37.88 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.856 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.5 p -88.33 146.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.6 m -49.27 -66.75 0.53 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.79 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.856 ' HD2' HG22 ' A' ' 22' ' ' VAL . 20.4 Cg_endo -60.66 -16.23 41.99 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.473 2.115 . . . . 0.0 112.785 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.586 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 60.55 160.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.92 162.53 39.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.105 HD21 HD11 ' A' ' 16' ' ' ILE . 5.9 tt -119.39 116.94 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -97.79 145.86 25.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.723 ' O ' HG23 ' A' ' 37' ' ' VAL . 53.7 t90 -136.3 110.18 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -108.79 136.35 48.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 p -59.69 143.81 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 13' ' ' SER . 11.9 t -60.36 -46.36 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 32' ' ' THR . 18.7 p-10 -125.5 -43.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.6 -169.82 0.17 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -122.54 30.32 6.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.3 118.7 37.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.6 p -133.71 139.16 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -133.47 150.6 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.39 145.45 48.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.472 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.2 p -142.1 121.76 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.881 ' O ' HG22 ' A' ' 44' ' ' THR . 24.6 t -74.37 109.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.968 HD22 HD21 ' A' ' 104' ' ' LEU . 34.1 mt -63.58 -22.71 67.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.7 -45.57 74.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.881 HG22 ' O ' ' A' ' 41' ' ' VAL . 11.2 t -61.03 -29.17 69.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.93 153.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' O ' HG21 ' A' ' 108' ' ' ILE . 9.3 t0 -124.83 -48.13 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.07 159.62 36.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.824 HD13 ' HG3' ' A' ' 101' ' ' LYS . 3.4 pp -132.72 152.9 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -149.4 135.73 19.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -122.9 159.36 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -76.85 160.38 76.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.83 139.15 39.29 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.51 2.14 . . . . 0.0 112.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.51 -29.38 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -66.4 -31.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -68.21 165.69 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -92.47 -45.44 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -73.47 86.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.3 mtm -79.23 114.83 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.491 ' HE3' ' CZ ' ' B' ' 462' ' ' PHE . 47.8 mtm -151.51 165.68 33.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 49' ' ' GLN . 64.5 tp -123.62 156.61 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.6 OUTLIER -144.14 125.61 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.629 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.8 OUTLIER -111.55 123.51 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.555 HG23 ' HG2' ' A' ' 86' ' ' ARG . 24.6 mm -86.74 134.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.62 -164.53 9.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -105.99 158.89 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 67' ' ' ASP . 28.1 t -103.63 158.4 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -170.35 125.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -138.91 35.68 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.6 p -137.74 -61.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -49.42 77.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.563 ' HE3' HG22 ' A' ' 81' ' ' VAL . 11.6 mmmm 60.88 165.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -150.04 -179.64 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -151.29 116.28 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -158.74 89.59 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -171.16 -76.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -177.27 37.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.08 72.35 1.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -177.22 129.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.16 126.23 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 t -111.18 142.05 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.563 HG22 ' HE3' ' A' ' 71' ' ' LYS . 21.7 t -97.38 106.72 34.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -39.31 89.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.457 2.771 . . . . 0.0 113.165 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.6 mttt -72.85 148.99 89.98 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.77 91.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.609 2.206 . . . . 0.0 112.263 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -69.26 145.7 52.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HG2' HG23 ' A' ' 63' ' ' ILE . 17.0 mtt180 -152.73 105.11 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -106.69 151.86 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.444 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -136.36 149.87 48.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 84.3 m-85 -127.95 143.74 51.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.829 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.71 149.4 26.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CE2' HG13 ' A' ' 100' ' ' ILE . 27.0 m-85 -138.57 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -138.29 32.89 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.97 148.2 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -82.41 -52.38 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.3 m -59.75 -48.19 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.474 HG11 ' H ' ' A' ' 6' ' ' ALA . 21.8 t -59.57 -58.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.409 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 10.6 tmm? -59.82 -31.14 69.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.77 -46.56 78.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -57.56 -30.9 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.432 HG13 ' CE2' ' A' ' 91' ' ' PHE . 33.3 mm -64.93 -51.65 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.824 ' HG3' HD13 ' A' ' 48' ' ' LEU . 11.4 ttpp -56.61 -42.87 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -42.9 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.5 m -67.17 -23.61 65.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.968 HD21 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -83.45 -48.15 10.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.137 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.75 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 pp0? -56.19 -28.7 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.143 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -71.93 -31.14 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 111' ' ' TYR . 22.4 mt -77.77 -34.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.425 HG21 ' O ' ' A' ' 46' ' ' ASP . 39.5 mt -72.53 -51.44 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -60.49 -31.36 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -31.64 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.52 ' CE2' HG22 ' A' ' 107' ' ' ILE . 3.9 m-85 -104.79 8.94 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.372 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -86.09 -31.61 21.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.93 -39.39 94.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.31 -69.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.3 t0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.908 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 454' ' ' LEU . . . . . 0.69 HD23 ' O ' ' B' ' 454' ' ' LEU . 0.9 OUTLIER 68.78 11.64 8.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.381 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.74 -36.92 15.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -73.19 -30.48 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 2.0 t -58.64 -29.21 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.449 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -57.9 -29.18 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -28.78 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 460' ' ' TYR . . . . . 0.569 ' O ' HG23 ' B' ' 464' ' ' THR . 31.5 t80 -85.7 -40.93 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.449 HG22 ' HA ' ' B' ' 458' ' ' TRP . 10.9 tt -59.19 -30.46 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.491 ' CZ ' ' HE3' ' A' ' 59' ' ' MET . 22.1 m-85 -95.95 -29.3 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -31.29 43.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.569 HG23 ' O ' ' B' ' 460' ' ' TYR . 11.4 p -60.36 173.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.487 1.138 0 CA-C-O 120.823 0.26 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 m -62.2 101.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -82.25 89.18 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -162.29 142.8 10.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.51 146.3 11.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -61.82 108.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.02 129.57 50.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' VAL . 4.1 mp -99.36 102.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.93 140.09 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mt-10 62.03 32.56 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt 62.94 30.49 16.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 8' ' ' ILE . 39.5 t -126.81 136.53 60.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -73.98 121.09 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.405 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -159.88 170.86 36.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -108.87 138.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.978 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.04 143.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.72 121.87 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.0 mt -93.05 134.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -110.73 120.68 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.23 29.69 4.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.12 -31.68 30.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.765 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.926 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.0 p -107.35 148.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.18 -65.11 0.83 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.491 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD2' HG22 ' A' ' 22' ' ' VAL . 17.9 Cg_endo -59.2 -17.45 39.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.503 2.135 . . . . 0.0 112.582 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.677 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.69 171.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.027 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -160.15 148.16 16.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.978 HD21 HD11 ' A' ' 16' ' ' ILE . 7.0 tt -112.36 118.02 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.615 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -97.79 146.61 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.726 ' O ' HG23 ' A' ' 37' ' ' VAL . 55.0 t90 -140.82 108.68 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -109.32 135.64 50.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 143.35 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.506 ' H ' ' HG1' ' A' ' 32' ' ' THR . 2.2 p -58.98 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.0 31.13 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.39 -160.93 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -132.9 31.09 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.05 118.81 32.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.9 p -131.83 129.39 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -121.41 150.62 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -126.29 127.92 46.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.542 HG13 ' O ' ' A' ' 40' ' ' VAL . 9.0 p -132.68 114.6 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.656 ' CG1' HG23 ' A' ' 44' ' ' THR . 11.7 p -58.09 130.15 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.869 HD22 HD11 ' A' ' 104' ' ' LEU . 21.4 mt -72.62 -23.08 60.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.654 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -58.23 -41.24 83.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.128 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.656 HG23 ' CG1' ' A' ' 41' ' ' VAL . 19.7 p -55.22 -24.12 25.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.214 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 42' ' ' LEU . 2.9 mp -82.43 129.6 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -107.4 -34.14 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -130.1 154.42 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.553 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 104' ' ' LEU . 4.8 mt -109.82 152.92 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 155.2 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -153.7 167.2 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.5 HG22 HG12 ' B' ' 461' ' ' ILE . 71.9 p -86.05 153.14 56.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.35 155.96 65.76 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.529 2.152 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.83 -30.06 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -66.43 -30.84 71.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -59.42 133.42 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.57 -31.62 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' CG ' HD11 ' B' ' 461' ' ' ILE . 0.0 OUTLIER -102.16 117.73 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.2 ttp -94.06 113.41 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.3 mtm -151.49 157.51 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -124.41 154.9 39.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.76 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.502 ' NE ' HD11 ' A' ' 63' ' ' ILE . 3.0 ptt180 -145.82 152.12 39.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.106 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -115.56 142.54 46.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 86' ' ' ARG . 21.8 mm -102.6 119.33 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.04 -172.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -86.2 -176.88 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.95 154.27 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -171.9 100.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -99.19 35.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.87 33.53 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -117.88 -74.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? 59.6 -176.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 mmt-85 60.93 -176.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.86 91.8 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -95.8 179.59 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 60.65 92.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 62.74 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 176.8 102.74 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -176.61 115.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.75 97.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.0 p -103.1 146.31 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.3 t -84.1 136.12 41.31 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.76 61.85 3.01 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.467 2.111 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -134.17 157.07 78.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 128.57 16.32 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.535 2.156 . . . . 0.0 112.286 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.61 150.26 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.7 mtt180 -132.65 111.92 11.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -101.81 131.98 47.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.45 ' HE3' ' HE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -124.29 149.99 45.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 60' ' ' LEU . 7.0 p90 -145.37 146.52 31.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.434 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -84.02 161.38 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.408 ' CE1' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -154.89 157.84 38.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.778 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -131.44 34.33 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.563 ' HB3' HG23 ' A' ' 96' ' ' VAL . 7.9 m120 -150.01 110.74 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -39.55 90.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -71.75 -40.07 69.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.563 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.2 t -74.65 -32.44 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.43 -33.93 71.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -85.4 -30.41 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 102' ' ' MET . 2.3 m-80 -60.11 -29.41 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.07 -50.78 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.55 ' HD3' HD21 ' A' ' 60' ' ' LEU . 10.5 ttpp -64.91 -44.48 89.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.41 ' HG2' ' HA ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -60.55 -31.67 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.759 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.6 m -82.82 -32.94 27.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -73.57 -39.29 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.869 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.25 -30.3 68.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.15 -35.99 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 104' ' ' LEU . 25.3 mt -71.02 -37.97 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.762 HG22 ' HG3' ' A' ' 112' ' ' LYS . 19.6 mt -74.82 -44.83 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.3 t -59.51 -40.05 85.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.44 -45.23 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 3.2 m-85 -90.48 8.85 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.362 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -96.78 -45.17 6.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -76.44 -31.49 57.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.83 -33.16 73.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.404 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 18.6 mt -82.95 -31.75 27.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.48 -34.34 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -31.42 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 3.6 m -59.85 -29.25 68.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.416 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -58.36 -27.57 64.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.039 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.68 -28.79 33.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 460' ' ' TYR . . . . . 0.865 ' O ' HG22 ' B' ' 464' ' ' THR . 3.2 m-85 -87.28 -38.39 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.5 HG12 HG22 ' A' ' 51' ' ' THR . 11.1 tt -58.11 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.451 ' CE1' HG23 ' A' ' 51' ' ' THR . 26.6 m-85 -93.59 -31.11 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.45 -55.7 14.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.865 HG22 ' O ' ' B' ' 460' ' ' TYR . 9.7 t -86.89 137.76 32.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 465' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 465' ' ' THR . 25.5 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo . . . . . 0 N--CA 1.489 1.235 0 CA-C-O 120.791 0.246 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -95.06 -31.05 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -98.59 84.62 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.5 p -176.28 161.5 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.687 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -168.21 150.46 16.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 106.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -121.89 131.2 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 12' ' ' VAL . 23.2 mt -111.21 103.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 8.5 t80 -107.12 139.88 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 61.96 32.06 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt 62.24 37.35 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 8' ' ' ILE . 60.3 t -127.49 129.08 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.033 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 32' ' ' THR . 38.7 m -74.02 116.85 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.13 171.07 35.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.6 mm -106.67 139.45 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.008 HD11 HD21 ' A' ' 27' ' ' LEU . 1.1 tt -101.05 144.45 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.73 114.45 11.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.498 HG23 HD11 ' A' ' 42' ' ' LEU . 26.5 mt -89.38 134.91 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.13 108.38 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.83 25.97 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.8 -30.07 13.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.733 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.923 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.95 147.51 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -43.78 -68.75 0.26 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.952 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' A' ' 22' ' ' VAL . 52.1 Cg_endo -68.45 81.05 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.189 1.926 . . . . 0.0 111.494 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -42.66 130.39 4.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.706 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' HG21 ' A' ' 39' ' ' THR . 7.9 tt0 -121.69 147.67 45.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.008 HD21 HD11 ' A' ' 16' ' ' ILE . 6.8 tt -114.1 120.55 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.681 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.8 m -103.52 150.17 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 37' ' ' VAL . 48.9 t90 -142.51 119.56 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 142.3 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 p -59.05 143.92 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 13' ' ' SER . 9.4 t -58.63 -43.44 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -154.08 31.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -106.36 -134.16 7.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.26 31.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.68 119.0 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.0 p -131.71 123.81 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -123.7 146.6 48.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.465 HG21 ' OE1' ' A' ' 26' ' ' GLU . 5.9 m -124.37 137.03 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 27' ' ' LEU . 15.6 m -130.62 134.62 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.84 ' O ' HG22 ' A' ' 44' ' ' THR . 11.1 p -73.87 135.56 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.983 HD22 HD21 ' A' ' 104' ' ' LEU . 55.7 mt -80.62 -27.46 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -56.9 -28.3 61.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.103 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.84 HG22 ' O ' ' A' ' 41' ' ' VAL . 15.3 t -73.7 -28.65 61.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.857 HD12 ' HB3' ' A' ' 62' ' ' LEU . 43.2 mm -57.51 150.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.91 -49.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 48' ' ' LEU . 2.2 tptt -129.97 140.28 50.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -108.33 124.62 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -123.76 157.37 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -154.36 167.22 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.416 HG21 ' O ' ' A' ' 57' ' ' LYS . 8.4 p -82.71 154.62 68.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.29 161.54 44.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.517 2.145 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.22 -28.06 47.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -66.32 -31.31 72.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -78.08 156.68 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -98.44 28.86 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' HD2' ' CH2' ' B' ' 458' ' ' TRP . 13.1 mtmt -130.4 79.16 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -71.7 113.26 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -150.11 165.7 32.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -144.15 134.57 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -125.31 152.16 45.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.81 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.857 ' HB3' HD12 ' A' ' 45' ' ' ILE . 12.3 mt -114.97 142.62 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.48 99.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.8 169.15 12.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -85.91 -168.97 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 m -108.66 146.28 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.04 105.63 7.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.19 103.7 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 t -166.72 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -60.63 -43.31 97.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HA ' HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER 64.56 164.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.578 ' N ' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -178.04 -170.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.2 116.32 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.64 -68.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -110.59 -77.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -177.52 156.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.85 27.17 72.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -177.4 105.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.352 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.93 51.61 2.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.8 p -76.07 142.22 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.578 HG21 ' N ' ' A' ' 72' ' ' ARG . 3.7 t -155.6 -65.46 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' CD ' ' HB ' ' A' ' 81' ' ' VAL . 56.3 Cg_endo -69.05 62.74 1.37 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.345 2.03 . . . . 0.0 112.397 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 143.53 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.81 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.37 119.54 6.04 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.5 2.134 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -74.94 146.32 41.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -151.1 95.02 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -108.46 116.54 32.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.46 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.2 ppp? -99.19 135.09 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 94.8 m-85 -119.89 145.43 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.83 143.77 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -128.02 170.91 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -143.04 30.75 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.409 ' HB3' HG23 ' A' ' 96' ' ' VAL . 25.8 m-20 -166.78 141.7 4.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -49.7 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 m -59.96 -33.05 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.2 t -79.98 -41.07 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.495 ' CG ' HD13 ' A' ' 60' ' ' LEU . 27.0 ttp -61.38 -30.61 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.17 -38.69 60.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.33 -41.55 97.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.722 HG22 HD12 ' A' ' 104' ' ' LEU . 32.0 mm -69.0 -53.39 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 60' ' ' LEU . 2.2 ttmt -57.48 -48.59 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.028 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 ttp -60.19 -44.49 95.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.0 m -70.17 -27.26 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.983 HD21 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.34 -29.97 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.6 ' HG3' HD13 ' A' ' 48' ' ' LEU . 9.5 mt-30 -77.32 -29.73 53.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.43 -29.91 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.549 HD13 HD12 ' A' ' 42' ' ' LEU . 19.1 mt -76.42 -32.11 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.873 HD12 HD12 ' A' ' 48' ' ' LEU . 32.8 mt -82.37 -31.11 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 -30.88 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.45 ' NE ' ' CE1' ' A' ' 111' ' ' TYR . 4.7 ptm180 -68.24 -27.35 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.45 ' CE1' ' NE ' ' A' ' 110' ' ' ARG . 28.5 m-85 -100.02 11.2 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . 0.793 ' HE2' HG22 ' A' ' 108' ' ' ILE . 35.4 mttm -96.7 -31.51 12.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -100.81 -31.59 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -91.91 -55.55 3.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.914 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.843 0.354 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.05 11.55 38.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.29 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -71.92 -30.12 65.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.71 -48.37 81.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 457' ' ' SER . . . . . 0.907 ' O ' HG23 ' B' ' 461' ' ' ILE . 16.5 m -63.98 -59.24 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.455 ' HA ' HD13 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -54.57 -23.51 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.218 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -90.01 -20.15 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.198 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.64 -26.36 14.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.311 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.907 HG23 ' O ' ' B' ' 457' ' ' SER . 20.5 pt -54.29 -27.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.381 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' B' ' 461' ' ' ILE . 84.8 m-85 -89.18 -33.24 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.75 -33.24 58.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.879 HG22 HG23 ' B' ' 465' ' ' THR . 31.3 m -77.86 145.26 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 465' ' ' THR . . . . . 0.879 HG23 HG22 ' B' ' 464' ' ' THR . 9.5 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo . . . . . 0 N--CA 1.489 1.21 0 CA-C-O 120.821 0.259 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.67 -68.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 m80 60.17 40.48 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -171.15 157.67 5.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.1 157.77 30.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -61.81 116.35 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -139.72 131.18 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.007 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.5 mp -94.41 136.78 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.458 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 4.5 t80 -127.82 103.28 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.432 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 65.45 71.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.469 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG3' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER 42.47 31.67 0.3 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.738 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 10' ' ' GLU . 85.8 t -125.44 122.17 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.897 ' O ' HG22 ' A' ' 32' ' ' THR . 1.7 m -80.1 119.09 22.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.1 169.98 32.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 mm -106.0 134.93 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.971 HD11 HD21 ' A' ' 27' ' ' LEU . 1.6 tt -100.97 146.88 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.78 120.3 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 42' ' ' LEU . 28.8 mt -95.88 134.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -100.59 115.21 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.88 29.1 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -94.28 -31.46 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.91 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.57 148.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -49.83 -65.41 0.86 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.624 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.91 ' HD2' HG22 ' A' ' 22' ' ' VAL . 17.9 Cg_endo -59.5 -16.92 38.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.717 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.668 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 61.98 165.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -151.1 143.42 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.971 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -117.05 110.08 17.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.463 HG21 ' NH1' ' A' ' 30' ' ' ARG . 3.8 m -97.79 149.66 22.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.534 ' O ' HG23 ' A' ' 37' ' ' VAL . 69.8 t90 -136.94 107.95 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' NH1' HG21 ' A' ' 28' ' ' THR . 4.8 mtp85 -106.48 130.88 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 147.83 31.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 13' ' ' SER . 10.0 t -83.32 -30.8 27.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -150.47 78.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.63 -127.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -166.85 36.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.37 125.78 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.4 p -140.38 142.69 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -142.92 146.87 34.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -127.87 134.85 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.97 145.96 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 25' ' ' ALA . 14.0 t -78.34 130.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 18' ' ' ILE . 19.5 mt -79.79 -28.56 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 t -59.46 -29.37 67.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -69.75 -23.29 63.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.91 HD12 HD23 ' A' ' 62' ' ' LEU . 47.2 mm -56.13 150.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 38.6 t0 -119.35 -48.99 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -130.02 158.75 38.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.763 HD22 ' HG3' ' A' ' 105' ' ' GLN . 1.3 mp -124.57 137.33 54.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.765 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.16 156.91 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -156.98 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.6 p -59.8 154.02 49.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 160.68 48.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.574 2.182 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.5 m -66.47 -31.42 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -64.51 138.26 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.67 -39.0 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.61 98.74 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -76.61 126.22 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.2 mtm -147.76 141.51 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -110.62 124.42 51.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -126.01 128.33 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.91 HD23 HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -124.73 143.27 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.966 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 63' ' ' ILE . 2.3 mp -110.02 140.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.825 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.28 -178.49 49.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.635 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -105.54 149.23 26.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.897 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.6 m -63.95 117.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -126.48 79.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 78.1 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.44 -47.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -60.69 -76.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt 58.85 27.54 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.324 0.583 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.35 -169.28 1.54 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.05 -155.18 0.67 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.057 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.55 -77.18 0.6 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -163.01 -54.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -171.27 78.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.56 -40.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.541 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -176.05 128.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -77.62 -178.06 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.24 138.83 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.7 136.07 23.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.42 62.09 2.77 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.464 2.109 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -133.27 157.59 77.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.67 96.63 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.57 2.18 . . . . 0.0 112.211 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -72.75 139.91 47.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -117.31 109.04 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -101.75 127.84 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.449 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.8 ptm -120.26 120.2 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 46.1 m-85 -111.51 129.7 55.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.07 158.09 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 49.9 m-85 -149.36 170.92 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -131.9 33.97 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.42 ' HB3' HG23 ' A' ' 96' ' ' VAL . 13.9 t-20 -171.55 143.45 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -82.7 -42.74 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.42 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.5 t -78.13 -45.16 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.44 ' HG2' ' CG ' ' A' ' 91' ' ' PHE . 1.1 mtm -59.55 -31.32 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.84 -38.77 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -67.32 -31.11 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.618 HG22 HD13 ' A' ' 104' ' ' LEU . 31.8 mm -76.11 -50.92 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.491 ' HB2' HD11 ' A' ' 60' ' ' LEU . 13.2 ttmt -60.18 -45.14 94.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.409 ' HB3' ' HE2' ' A' ' 102' ' ' MET . 19.2 ptp -59.76 -31.36 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.43 ' CG2' HD12 ' A' ' 18' ' ' ILE . 71.4 m -81.81 -28.54 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.631 ' CB ' HD21 ' A' ' 48' ' ' LEU . 1.6 mp -80.48 -27.67 37.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.084 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.763 ' HG3' HD22 ' A' ' 48' ' ' LEU . 29.0 mt-30 -83.27 -39.65 20.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -58.74 -41.26 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.447 HD12 HD13 ' A' ' 42' ' ' LEU . 22.5 mt -62.79 -37.58 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.098 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.2 mt -74.45 -52.11 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 m -58.26 -31.41 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -71.85 -31.06 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 23' ' ' SER . 14.0 m-85 -107.32 10.02 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.327 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -68.15 -42.31 80.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -119.89 -42.85 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.96 -32.85 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.909 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.777 0.322 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.14 11.55 17.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.57 -28.74 26.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.804 0.335 . . . . 0.0 111.022 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.13 -50.15 75.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 45.0 t -72.97 -34.72 66.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.504 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -73.4 -28.66 62.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.66 -19.66 44.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.377 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 460' ' ' TYR . . . . . 0.412 ' HD1' ' HG1' ' B' ' 464' ' ' THR . 4.7 m-85 -99.68 -27.85 13.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.742 0.306 . . . . 0.0 111.245 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' B' ' 458' ' ' TRP . 11.4 tt -70.47 -29.57 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.398 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.4 m-85 -99.49 -57.97 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -60.08 -43.52 95.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.412 ' HG1' ' HD1' ' B' ' 460' ' ' TYR . 0.2 OUTLIER -98.26 145.2 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.83 0.263 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.54 144.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -97.75 39.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -175.6 146.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.5 166.72 39.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 136.76 58.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.77 123.29 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -98.2 112.97 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -114.88 136.2 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.6 mt-10 61.71 35.75 16.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.34 31.3 17.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 8' ' ' ILE . 32.3 t -129.7 139.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.66 128.59 33.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.1 166.84 37.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.55 137.16 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.046 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.06 151.12 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.083 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.77 126.27 17.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.94 134.71 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -116.05 115.29 25.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -100.66 30.58 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -82.78 -35.8 26.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.784 HG22 ' HD2' ' A' ' 24' ' ' PRO . 7.4 p -106.64 151.81 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.523 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.96 -58.57 9.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -179.245 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.784 ' HD2' HG22 ' A' ' 22' ' ' VAL . 21.5 Cg_exo -65.21 -13.13 38.13 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.343 2.029 . . . . 0.0 112.625 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.607 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 64.8 173.9 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.733 0.301 . . . . 0.0 110.782 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -157.72 131.98 8.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.212 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.046 HD21 HD11 ' A' ' 16' ' ' ILE . 6.9 tt -111.46 111.91 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.403 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.77 140.15 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.811 ' O ' HG23 ' A' ' 37' ' ' VAL . 58.3 t90 -130.47 107.47 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.653 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.34 131.54 54.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.98 143.23 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.7 m -63.19 -46.22 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -149.66 77.98 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.54 -118.3 0.44 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.81 36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -126.28 124.25 39.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.2 p -148.73 137.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -142.75 150.63 40.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.438 HG21 ' HG2' ' A' ' 26' ' ' GLU . 17.6 m -113.35 146.2 39.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 40' ' ' VAL . 11.1 p -142.15 115.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.815 HG12 ' H ' ' A' ' 43' ' ' SER . 22.2 t -59.72 127.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 45' ' ' ILE . 21.6 mt -80.56 -0.16 36.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.637 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.815 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -77.8 -43.34 30.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.741 0.305 . . . . 0.0 111.125 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.741 HG23 HD12 ' A' ' 45' ' ' ILE . 1.4 t -55.35 -29.27 58.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.148 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.741 HD12 HG23 ' A' ' 44' ' ' THR . 4.2 mp -72.06 123.17 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.19 -28.31 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -130.02 157.1 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 1.008 HD11 HD12 ' A' ' 108' ' ' ILE . 5.1 mp -118.61 149.04 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.462 ' OE1' HG21 ' B' ' 465' ' ' THR . 13.6 mm-40 -147.29 121.7 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -131.18 161.89 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.655 HG22 ' HD2' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -98.37 142.4 24.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.783 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 51' ' ' THR . 53.8 Cg_endo -69.7 148.91 66.52 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.468 2.112 . . . . 0.0 112.314 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -26.9 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -28.75 68.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.6 157.33 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -42.87 95.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -126.51 134.29 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -95.94 123.1 39.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.0 mtm -150.78 148.72 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 55.5 tp -111.22 141.18 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.475 ' O ' HD13 ' A' ' 62' ' ' LEU . 5.3 ttm180 -138.3 142.73 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.649 ' N ' HD22 ' A' ' 62' ' ' LEU . 0.4 OUTLIER -118.96 142.51 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.512 HD12 ' HG2' ' A' ' 86' ' ' ARG . 23.9 mm -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.95 -174.48 3.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -72.79 171.02 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.431 HG12 ' HG3' ' A' ' 84' ' ' PRO . 4.5 m -133.18 135.31 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.192 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -177.73 81.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -30.12 68.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.36 52.7 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -112.8 -58.49 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -159.63 143.27 14.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -149.52 143.2 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.779 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.76 111.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.63 -79.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -179.62 -53.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.44 48.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.01 96.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.543 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -176.71 112.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.748 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -91.12 123.79 34.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.39 144.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' HD2' ' A' ' 82' ' ' PRO . 39.7 t -134.86 137.33 27.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HD2' HG13 ' A' ' 81' ' ' VAL . 54.2 Cg_endo -68.27 62.53 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.527 2.151 . . . . 0.0 112.413 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -70.78 155.47 93.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HG3' HG12 ' A' ' 66' ' ' VAL . 27.6 Cg_endo -62.28 130.33 30.01 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.54 2.16 . . . . 0.0 112.226 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -81.0 111.31 17.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.512 ' HG2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -98.32 96.57 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -109.71 137.09 48.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.44 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -123.68 149.98 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -128.76 143.11 50.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.795 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.72 146.18 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -139.19 170.92 15.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -143.7 33.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.537 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.5 m120 -158.86 113.77 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -61.73 -35.02 76.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -74.13 -40.9 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 93' ' ' ASN . 23.2 t -74.91 -38.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 18.8 ttp -60.59 -31.26 70.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.63 -31.24 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.15 -43.36 95.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.599 HG22 HD13 ' A' ' 104' ' ' LEU . 30.5 mm -67.87 -55.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -60.26 -31.47 70.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.7 ttm -76.64 -43.89 36.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.401 HG22 HD11 ' A' ' 107' ' ' ILE . 88.9 m -66.07 -42.94 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.807 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 mp -58.85 -41.55 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.684 ' HG2' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -58.98 -30.38 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -35.03 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 104' ' ' LEU . 16.8 mt -70.89 -40.77 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.008 HD12 HD11 ' A' ' 48' ' ' LEU . 21.7 mt -74.74 -31.17 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 t -79.94 -31.05 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -65.15 -31.11 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 107' ' ' ILE . 4.5 m-85 -95.41 9.08 41.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.403 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -88.09 -73.62 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.06 11.43 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.37 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.5 -75.39 0.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.338 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.889 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.4 -31.25 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.16 -31.27 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -59.95 -36.76 77.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 20.2 m -63.47 -31.4 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.421 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.6 OUTLIER -63.9 -29.57 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.63 -29.11 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 460' ' ' TYR . . . . . 0.596 ' O ' HG23 ' B' ' 464' ' ' THR . 5.6 m-85 -86.93 -39.27 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' B' ' 458' ' ' TRP . 11.5 tt -58.4 -31.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' A' ' 88' ' ' MET . 23.2 m-85 -95.74 -43.39 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.09 -31.62 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.596 HG23 ' O ' ' B' ' 460' ' ' TYR . 34.1 p -71.17 102.07 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 465' ' ' THR . . . . . 0.462 HG21 ' OE1' ' A' ' 49' ' ' GLN . 8.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.57 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 4.3 Cg_endo . . . . . 0 N--CA 1.488 1.185 0 CA-C-O 120.83 0.262 . . . . 0.0 111.795 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -80.65 -68.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.684 ' CG ' HG21 ' A' ' 103' ' ' THR . 97.4 m-70 -75.83 105.07 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.07 155.86 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.96 144.69 9.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.646 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.11 99.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.75 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -115.94 138.0 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.011 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.0 mp -102.22 121.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.196 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 7.4 t80 -124.83 134.64 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 62.22 33.62 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.18 30.72 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 8' ' ' ILE . 48.2 t -125.05 132.05 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.7 m -81.53 108.07 14.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.61 172.48 24.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -107.11 134.95 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.03 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.09 140.52 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 1' ' ' PRO . . . -132.87 123.27 25.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 42' ' ' LEU . 30.6 mt -95.85 135.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -118.46 121.61 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -102.46 27.52 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -83.3 -40.13 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' A' ' 24' ' ' PRO . 14.4 p -87.44 146.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.16 -66.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.541 -179.42 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' A' ' 22' ' ' VAL . 34.4 Cg_endo -63.98 -8.72 16.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.623 2.215 . . . . 0.0 113.036 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.564 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.28 164.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.744 0.307 . . . . 0.0 111.009 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -154.96 154.19 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.03 HD21 HD11 ' A' ' 16' ' ' ILE . 6.2 tt -123.13 115.62 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.503 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -97.85 150.68 21.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 37' ' ' VAL . 83.3 t90 -139.74 109.74 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 p -60.0 142.77 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 m -72.32 -69.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.89 30.86 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -133.65 -153.57 7.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.79 25.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -102.03 130.03 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' TRP . 14.5 p -148.79 141.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -146.22 150.61 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.12 141.18 44.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.428 HG13 ' O ' ' A' ' 40' ' ' VAL . 10.4 p -141.89 124.45 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 44' ' ' THR . 6.7 t -62.71 129.29 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.966 HD22 HD21 ' A' ' 104' ' ' LEU . 40.8 mt -80.62 -0.83 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.607 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.71 ' H ' HG12 ' A' ' 41' ' ' VAL . 10.8 p -78.3 -31.0 48.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 41' ' ' VAL . 2.2 t -60.33 -34.4 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.572 ' H ' HD12 ' A' ' 45' ' ' ILE . 5.0 mp -65.56 118.12 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.39 -24.64 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 171.39 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 62' ' ' LEU . 27.3 mt -143.52 112.89 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.803 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.712 ' CD ' HG23 ' B' ' 465' ' ' THR . 0.0 OUTLIER -123.88 136.69 54.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.781 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -146.28 167.22 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.752 HG22 ' O ' ' B' ' 461' ' ' ILE . 11.7 p -87.1 154.64 54.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' HD3' HG21 ' B' ' 464' ' ' THR . 36.9 Cg_endo -65.72 153.55 77.67 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.574 2.182 . . . . 0.0 112.263 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.17 67.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -66.31 -30.48 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -76.67 129.08 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.69 -31.75 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.73 79.38 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -83.74 113.38 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.438 ' HE1' HD13 ' B' ' 461' ' ' ILE . 2.8 mpp? -145.22 150.97 37.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.781 HD23 ' HB2' ' A' ' 50' ' ' ALA . 1.2 mt -110.75 143.66 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HD2' ' CG ' ' B' ' 462' ' ' PHE . 14.4 ttt180 -128.58 111.88 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -83.08 141.48 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.124 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 86' ' ' ARG . 6.5 mm -113.26 106.17 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.983 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.23 -167.34 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -95.44 -179.47 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.24 142.32 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -147.85 112.32 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -104.95 35.59 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.6 p -120.88 34.0 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -151.38 -62.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 60.18 107.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 174.95 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.929 ' HB2' HG12 ' A' ' 80' ' ' VAL . 31.8 mmtt 59.93 105.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.95 -73.28 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -124.09 32.09 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -100.91 -36.63 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.95 -39.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -150.33 -156.17 0.69 Allowed 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.982 0.42 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 4.6 mt-10 -140.17 61.67 1.52 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.929 HG12 ' HB2' ' A' ' 73' ' ' LYS . 9.3 p -44.14 159.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.627 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 80' ' ' VAL . 21.5 t -121.2 88.08 45.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -39.85 88.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.6 2.867 . . . . 0.0 113.123 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 81' ' ' VAL . 7.8 mmtp -90.18 154.2 46.92 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 122.6 10.99 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.558 2.172 . . . . 0.0 112.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.3 138.26 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 29.1 mtt180 -144.22 104.17 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -106.98 147.47 29.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 2.7 ppp? -129.96 150.05 51.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 3.9 m-85 -133.45 146.14 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.519 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -82.03 146.57 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.75 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 10.2 m-85 -152.37 141.55 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -111.54 -38.09 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.429 ' OD1' HG23 ' A' ' 96' ' ' VAL . 1.8 t-20 -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.6 m -60.53 -40.82 92.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.429 HG23 ' OD1' ' A' ' 93' ' ' ASN . 21.4 t -77.95 -42.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . 0.57 ' HG2' HD12 ' A' ' 60' ' ' LEU . 3.8 ttp -60.54 -35.56 76.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.27 -31.32 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -68.89 -26.9 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.849 HG22 HD12 ' A' ' 104' ' ' LEU . 31.9 mm -73.23 -51.73 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.791 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.52 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.1 ttmm -63.99 -47.94 78.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.684 HG21 ' CG ' ' A' ' 3' ' ' HIS . 92.0 m -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.966 HD21 HD22 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -78.16 -30.14 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.822 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.13 -30.71 66.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -73.53 -28.26 61.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 104' ' ' LEU . 12.9 mt -73.52 -27.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.2 mt -82.65 -28.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -78.6 -32.0 47.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.434 ' CD ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 ptm180 -65.22 -28.32 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.066 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.561 ' CE2' HG22 ' A' ' 107' ' ' ILE . 11.1 m-85 -89.76 9.57 26.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -114.35 -39.03 3.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -93.92 11.36 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.38 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -90.81 -53.02 4.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.4 11.56 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.326 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -89.84 -32.24 16.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.95 -34.03 72.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 66.1 m -84.74 -30.59 24.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.593 ' CE3' HD12 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -57.57 -32.22 66.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.52 -33.37 75.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 460' ' ' TYR . . . . . 0.409 ' HA ' ' HG2' ' B' ' 463' ' ' GLU . 80.0 t80 -79.63 -2.98 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 51' ' ' THR . 50.0 mt -100.07 -28.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.711 0.291 . . . . 0.0 111.345 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.8 m-85 -109.72 12.04 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.75 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 463' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 460' ' ' TYR . 0.0 OUTLIER -100.18 2.2 42.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.612 0.244 . . . . 0.0 111.37 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 464' ' ' THR . . . . . 0.51 HG21 ' HD3' ' A' ' 52' ' ' PRO . 8.9 t -74.59 -46.76 36.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.831 0.348 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 465' ' ' THR . . . . . 0.712 HG23 ' CD ' ' A' ' 49' ' ' GLN . 3.2 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.488 1.165 0 CA-C-O 120.858 0.274 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -159.82 -52.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -75.47 88.7 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -175.27 155.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.79 163.05 35.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.89 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.84 126.13 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -103.5 132.64 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -132.3 126.2 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 59.3 44.22 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.77 34.47 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 8' ' ' ILE . 53.8 t -124.74 130.51 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.035 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -84.39 109.67 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.12 167.49 27.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -105.59 138.41 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.984 HD11 HD21 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.02 145.38 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 114.73 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.414 HG23 HD11 ' A' ' 42' ' ' LEU . 27.3 mt -89.22 134.24 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -116.89 97.56 6.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -97.48 34.16 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -102.41 -35.22 8.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG11 ' OE2' ' A' ' 26' ' ' GLU . 2.0 p -55.67 -60.01 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.588 ' H ' HG13 ' A' ' 22' ' ' VAL . 1.1 t 166.71 -68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.344 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 89.2 Cg_endo -76.42 -10.4 18.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.362 2.041 . . . . 0.0 112.1 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . 66.79 121.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.665 ' OE2' HG11 ' A' ' 22' ' ' VAL . 3.7 mt-10 -121.73 159.62 26.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.984 HD21 HD11 ' A' ' 16' ' ' ILE . 6.8 tt -114.95 117.64 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -104.64 143.92 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.779 ' O ' HG23 ' A' ' 37' ' ' VAL . 70.2 t90 -134.07 119.73 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.751 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.73 136.76 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -59.09 152.6 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -59.31 -31.95 69.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.6 -42.25 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.25 59.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.21 -54.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 118.81 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.4 p -147.25 137.06 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.1 p80 -137.06 150.57 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -117.71 126.59 52.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.34 139.74 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 26' ' ' GLU . 21.4 t -77.96 136.23 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.937 HD22 HD21 ' A' ' 104' ' ' LEU . 57.9 mt -80.51 -28.87 37.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.499 ' H ' HG12 ' A' ' 41' ' ' VAL . 6.7 t -56.55 -29.83 62.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -65.63 -30.29 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 46' ' ' ASP . 33.0 mm -64.34 154.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' HG22 ' A' ' 45' ' ' ILE . 18.3 t0 -122.39 -47.52 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -130.08 161.09 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.781 HD13 ' HG2' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -124.3 127.01 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -137.04 146.1 44.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -151.16 167.19 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.653 HG22 HG12 ' B' ' 461' ' ' ILE . 27.7 p -72.51 153.95 91.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 165.49 30.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.64 64.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -66.33 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 131.32 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.22 -56.36 22.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.0 118.61 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -94.93 113.37 25.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 mtm -150.31 165.73 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.743 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 5.7 tt -135.4 165.42 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.698 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -144.97 129.1 17.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 48' ' ' LEU . 9.0 mt -106.65 133.03 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.487 HD12 ' CG ' ' A' ' 86' ' ' ARG . 21.8 mm -110.62 137.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.99 -178.82 34.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -85.67 -173.12 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.3 m -148.12 171.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -135.3 80.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -85.86 83.24 7.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.41 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.6 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.26 160.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -142.38 141.92 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -130.91 85.91 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -104.07 33.27 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -175.46 120.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.33 110.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.05 28.79 5.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -176.61 117.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -107.09 135.96 47.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.89 138.65 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 83' ' ' LYS . 21.7 t -123.62 137.66 29.0 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -40.22 88.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.458 2.772 . . . . 0.0 113.118 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' VAL . 12.4 mtpp -59.53 147.65 76.53 Favored Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 114.373 -1.285 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.0 159.6 49.79 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.518 2.145 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -114.37 120.38 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -124.13 116.6 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -105.84 145.8 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.4 ptm -116.73 149.57 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -141.35 149.44 41.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.69 146.64 30.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -141.24 141.81 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -106.73 32.32 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.581 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.4 m120 -170.44 111.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -60.92 -31.63 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.6 m -65.79 -34.0 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' ' 93' ' ' ASN . 28.9 t -78.02 -40.96 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 ttp -59.92 -31.48 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.11 -31.86 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.5 -39.6 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.8 mm -72.95 -54.83 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.77 -46.85 83.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.69 -43.96 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.6 m -69.56 -37.4 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.937 HD21 HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.35 -42.11 75.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.781 ' HG2' HD13 ' A' ' 48' ' ' LEU . 9.6 mm-40 -57.09 -29.72 63.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.042 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -73.84 -30.63 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 25' ' ' ALA . 23.6 mt -78.91 -32.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.671 HD12 HD12 ' A' ' 48' ' ' LEU . 36.8 mt -82.61 -31.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -76.61 -40.19 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -30.25 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.78 -11.92 40.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.339 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -30.24 63.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.0 -31.57 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.12 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.854 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.906 0.384 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 5.0 tp 68.14 11.7 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.442 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -95.79 -58.54 2.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.816 0.341 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -39.41 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -32.16 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.0 OUTLIER -78.88 -30.96 45.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.87 -35.96 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -41.75 70.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.653 HG12 HG22 ' A' ' 51' ' ' THR . 11.4 tt -58.62 -28.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 30.7 m-85 -101.2 -30.92 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.94 -67.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 30.0 p -94.43 178.49 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 77.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.153 0 CA-C-O 120.785 0.244 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.25 31.56 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -103.33 84.52 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 p -172.09 162.44 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.1 144.07 8.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.581 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -63.31 104.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -120.85 141.51 50.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.5 mp -107.54 129.01 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.133 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.487 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 3.1 t80 -133.55 130.66 38.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.779 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 64.01 36.47 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.45 35.07 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 8' ' ' ILE . 59.9 t -132.57 130.25 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.015 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 32' ' ' THR . 11.4 m -82.44 126.71 32.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.749 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.37 173.44 34.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.615 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.2 mm -105.56 132.19 53.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.789 HG12 HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -101.05 151.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.135 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.74 122.36 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.547 HG23 HD11 ' A' ' 42' ' ' LEU . 15.4 mt -89.17 132.27 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -109.22 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -102.57 27.96 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -89.61 -29.71 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 25' ' ' ALA . 10.5 m -92.02 -178.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.22 -60.61 2.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 60.2 Cg_endo -72.72 -32.05 9.83 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.567 2.178 . . . . 0.0 112.694 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.763 ' H ' HG23 ' A' ' 22' ' ' VAL . . . 62.97 143.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.8 mt-10 -138.6 163.84 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 0.0 111.442 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.867 HD13 HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -112.04 120.2 41.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.624 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.82 131.56 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.571 ' O ' HG23 ' A' ' 37' ' ' VAL . 78.3 t90 -130.8 109.6 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.52 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 m -58.9 142.82 49.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 13' ' ' SER . 15.1 t -59.48 -46.7 88.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.438 ' N ' HG23 ' A' ' 32' ' ' THR . 3.9 m-20 -123.95 -40.26 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.1 -172.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.642 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -120.15 29.33 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -107.96 148.89 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 29' ' ' TRP . 11.5 p -148.68 145.3 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.23 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -126.55 136.84 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.94 111.16 13.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.765 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.61 135.09 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.841 ' O ' HG22 ' A' ' 44' ' ' THR . 23.3 t -74.19 135.77 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.942 HD22 HD21 ' A' ' 104' ' ' LEU . 18.1 mt -80.65 -31.19 36.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.058 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.413 ' H ' HG12 ' A' ' 41' ' ' VAL . 34.5 t -57.46 -30.08 64.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -71.81 -24.24 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.216 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 108' ' ' ILE . 43.9 mm -56.51 151.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.92 -44.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' HD12 ' A' ' 48' ' ' LEU . 16.2 mtmt -130.06 171.35 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD21 ' HB3' ' A' ' 104' ' ' LEU . 1.7 mp -135.81 123.55 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.721 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.22 159.51 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 1.034 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -156.96 167.29 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 HG12 ' B' ' 461' ' ' ILE . 17.4 p -67.51 154.17 93.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.2 157.93 59.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.562 2.175 . . . . 0.0 112.256 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.45 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -31.56 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -64.91 127.98 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.26 -39.07 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 111.39 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.2 122.29 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.435 ' HE1' ' CZ3' ' B' ' 458' ' ' TRP . 0.5 OUTLIER -142.78 165.75 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.034 HD23 ' HB2' ' A' ' 50' ' ' ALA . 8.2 mt -124.38 146.98 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -135.92 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.9 mt -123.92 142.51 51.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.586 HD11 ' HD3' ' A' ' 61' ' ' ARG . 7.8 mm -106.54 140.51 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.2 161.17 22.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -81.22 -174.54 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 82' ' ' PRO . 21.8 t -102.79 150.56 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.12 99.95 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.02 -30.77 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 76.0 p -59.51 -36.18 75.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.28 -61.38 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.98 -168.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -59.34 169.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp 60.94 81.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.96 -46.58 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -156.73 -74.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.72 -41.37 97.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.92 44.79 1.36 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.99 26.08 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.279 0.562 . . . . 0.0 111.231 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 46.61 90.18 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.294 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.9 p -112.17 146.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.42 136.06 21.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.452 ' O ' HG13 ' A' ' 66' ' ' VAL . 61.1 Cg_endo -72.53 61.71 3.57 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.507 2.138 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -83.56 154.78 65.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.71 143.89 52.53 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.588 2.192 . . . . 0.0 112.305 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -107.78 134.31 50.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.63 129.87 56.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -124.02 135.79 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.32 47.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.024 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 14.0 m-85 -128.03 153.21 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.509 ' HB3' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -85.21 157.8 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 60' ' ' LEU . 4.9 m-85 -156.23 135.08 11.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -108.96 33.02 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.41 ' HB3' HG23 ' A' ' 96' ' ' VAL . 48.5 m-80 -156.29 133.02 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -31.61 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -72.7 -43.63 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 93' ' ' ASN . 27.9 t -63.14 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.7 mtp -60.26 -35.43 75.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.34 -31.55 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.85 -44.64 54.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.69 -56.58 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.7 ' HG3' HD21 ' A' ' 60' ' ' LEU . 24.3 mtmt -59.18 -49.21 78.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.7 ttm -58.01 -41.1 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -73.09 -28.1 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.942 HD21 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.08 -47.18 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.441 ' HB3' HD22 ' A' ' 48' ' ' LEU . 1.3 pp0? -56.1 -28.82 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -76.0 -43.28 45.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.708 HD13 ' CD1' ' A' ' 42' ' ' LEU . 13.9 mt -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.611 HD12 HD13 ' A' ' 48' ' ' LEU . 44.4 mt -82.62 -30.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -81.34 -30.78 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 4.7 ptm85 -71.94 -35.45 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 110' ' ' ARG . 20.5 m-85 -89.8 -11.95 40.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -59.48 -39.24 83.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -80.02 -39.93 28.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.54 -50.56 58.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.913 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.834 0.349 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 15.0 tp -176.17 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -95.72 -60.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -74.39 -30.43 61.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 9.7 t -58.69 -42.73 89.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.549 ' O ' HG22 ' B' ' 461' ' ' ILE . 18.9 m95 -90.08 -23.66 21.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.64 -33.05 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.76 -56.06 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 51' ' ' THR . 9.9 tt -58.35 -29.08 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 20.5 m-85 -88.9 -30.51 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.066 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -75.65 -31.57 59.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 12.1 p -84.23 86.58 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 465' ' ' THR . . . . . 0.547 HG22 ' O ' ' B' ' 465' ' ' THR . 28.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo . . . . . 0 N--CA 1.489 1.225 0 CA-C-O 120.918 0.299 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -68.26 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' CG ' HG21 ' A' ' 103' ' ' THR . 2.7 m-70 -71.21 106.34 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.8 p -156.41 167.57 30.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.61 142.32 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 130.06 44.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.43 115.43 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -100.0 119.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -102.95 114.03 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.293 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.81 -45.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.463 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -179.19 -32.38 0.01 OUTLIER 'General case' 0 C--O 1.231 0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 8' ' ' ILE . 58.0 t -61.46 125.48 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 111.181 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -88.2 109.42 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.856 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -138.37 169.08 24.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.557 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mm -105.51 131.75 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.919 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -100.98 142.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 124.13 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.432 HG23 HD11 ' A' ' 42' ' ' LEU . 29.0 mt -89.14 134.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.71 119.97 39.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.11 26.86 7.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.54 -32.57 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.912 HG22 ' HD2' ' A' ' 24' ' ' PRO . 14.0 p -99.63 147.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.3 m -49.76 -65.86 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.682 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.912 ' HD2' HG22 ' A' ' 22' ' ' VAL . 22.0 Cg_endo -60.78 -15.4 37.54 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.872 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.654 ' HB2' ' OH ' ' A' ' 111' ' ' TYR . . . 63.61 157.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -149.44 164.22 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.218 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.919 HD21 HD11 ' A' ' 16' ' ' ILE . 5.3 tt -121.04 119.2 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -97.77 134.17 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.735 ' O ' HG23 ' A' ' 37' ' ' VAL . 40.3 t90 -133.19 109.63 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -112.98 135.03 54.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 140.12 57.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' HA2' ' A' ' 14' ' ' GLY . 46.3 p -60.23 -61.96 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -122.45 94.1 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.82 -120.68 0.84 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.17 37.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 118.73 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.1 p -139.6 137.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -134.81 150.57 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -118.06 141.18 48.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 40' ' ' VAL . 11.4 p -137.83 122.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.799 ' O ' HG22 ' A' ' 44' ' ' THR . 21.7 t -59.67 132.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.632 HD13 HD13 ' A' ' 107' ' ' ILE . 32.1 mt -80.46 -26.62 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.469 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -57.47 -36.59 71.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 41' ' ' VAL . 12.8 t -59.25 -29.41 67.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.552 HD12 HD23 ' A' ' 62' ' ' LEU . 37.3 mm -62.42 153.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 45' ' ' ILE . 15.7 t0 -123.13 -52.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -130.03 156.87 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.72 HD23 ' HG ' ' A' ' 62' ' ' LEU . 7.5 mt -120.05 142.26 49.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.64 160.4 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -154.78 167.26 30.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.543 HG22 HG12 ' B' ' 461' ' ' ILE . 16.0 p -69.75 149.39 96.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.79 165.56 32.18 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.554 2.17 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.49 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -66.38 -29.63 69.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -59.19 129.99 44.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.29 -32.98 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 125.36 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -81.86 125.94 31.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.561 ' HE1' ' CZ2' ' B' ' 458' ' ' TRP . 44.2 mtm -151.5 165.79 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' HG2' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -130.79 142.53 50.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 22.1 ttt180 -125.35 117.48 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -97.57 142.54 29.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.799 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.511 HD12 ' CG ' ' A' ' 86' ' ' ARG . 10.2 mm -117.56 140.54 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.64 -163.01 35.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -102.42 167.24 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.572 HG12 ' HD3' ' A' ' 84' ' ' PRO . 31.4 m -85.7 163.29 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 60.03 107.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -98.08 22.51 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m 51.99 28.95 5.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -157.04 -44.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.003 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mttt 64.56 143.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -83.49 147.21 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.985 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -154.62 118.59 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -50.49 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -177.03 -67.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -165.78 102.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.1 -29.5 0.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -171.72 111.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -77.56 117.81 19.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.22 134.78 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 82' ' ' PRO . 10.9 p -65.76 136.45 95.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 81' ' ' VAL . 64.8 Cg_endo -72.88 62.9 3.97 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.48 2.12 . . . . 0.0 112.274 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -54.6 157.21 5.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.572 ' HD3' HG12 ' A' ' 66' ' ' VAL . 42.9 Cg_endo -67.71 139.03 46.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.586 2.191 . . . . 0.0 112.32 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -60.17 -177.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.511 ' CG ' HD12 ' A' ' 63' ' ' ILE . 3.8 mtt180 -170.22 103.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -116.88 119.42 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . 0.47 ' HE2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -117.73 149.99 39.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -131.19 164.3 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.8 m -99.72 136.3 39.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PHE . . . . . 0.427 ' CE2' HG13 ' A' ' 100' ' ' ILE . 8.1 m-85 -128.91 137.87 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -107.08 33.67 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.604 ' HB3' HG23 ' A' ' 96' ' ' VAL . 24.1 m-80 -163.15 134.02 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.67 -31.26 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -76.16 -31.77 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 93' ' ' ASN . 22.0 t -76.24 -49.12 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.3 ptm -60.19 -31.48 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -31.56 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -74.77 -25.06 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.827 HG22 HD12 ' A' ' 104' ' ' LEU . 31.6 mm -72.77 -52.0 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.729 ' HG2' HD21 ' A' ' 60' ' ' LEU . 24.6 mtmt -63.59 -48.33 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.3 -35.61 74.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.501 HG21 ' CG ' ' A' ' 3' ' ' HIS . 86.0 m -84.39 -27.83 27.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.827 HD12 HG22 ' A' ' 100' ' ' ILE . 12.7 mt -80.07 -30.01 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.623 ' HG2' HD12 ' A' ' 48' ' ' LEU . 54.1 mt-30 -72.79 -30.67 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 3.2 pt20 -71.37 -28.46 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.9 mt -71.04 -58.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 48' ' ' LEU . 3.8 mt -59.41 -30.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 m -64.14 -25.67 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.655 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 32.2 mtp85 -88.08 -27.28 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.166 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.685 ' CE2' HG22 ' A' ' 107' ' ' ILE . 7.2 m-30 -89.8 -11.87 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.486 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -30.32 21.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -102.5 -31.46 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 110' ' ' ARG . . . -101.63 30.57 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.906 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.7 tt -150.27 -58.5 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -60.28 -34.6 73.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.1 -36.84 80.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 35.3 t -83.74 -32.98 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 458' ' ' TRP . . . . . 0.561 ' CZ2' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER -79.38 -28.65 41.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.79 -31.03 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 -42.46 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 461' ' ' ILE . . . . . 0.546 HG22 ' O ' ' B' ' 458' ' ' TRP . 10.1 tt -58.63 -26.73 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.327 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 462' ' ' PHE . . . . . 0.47 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 45.8 m-85 -104.44 -29.63 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.198 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.89 -42.26 98.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.15 176.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 m80 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.883 0.373 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -161.27 156.48 24.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.47 150.87 19.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.24 105.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -121.38 126.15 48.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 12' ' ' VAL . 25.2 mt -104.3 111.24 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 28.8 t80 -109.96 134.99 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 tt0 58.12 43.07 21.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.3 30.06 18.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 8' ' ' ILE . 72.3 t -118.28 123.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.65 ' O ' HG22 ' A' ' 32' ' ' THR . 4.2 m -73.27 111.24 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.92 172.04 31.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -110.4 139.6 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.983 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.16 151.07 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.82 117.98 11.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.2 mt -89.5 134.62 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -116.03 105.54 12.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.63 31.4 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.19 -31.12 43.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.537 HG13 ' H ' ' A' ' 25' ' ' ALA . 3.5 p -111.81 167.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 m -53.01 -67.57 0.55 Allowed Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.653 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 41.4 Cg_endo -67.04 -10.42 28.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.437 2.092 . . . . 0.0 112.809 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.537 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 61.35 -172.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.992 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -162.59 131.44 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 16' ' ' ILE . 6.7 tt -109.07 108.83 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -97.72 143.51 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' O ' HG23 ' A' ' 37' ' ' VAL . 46.0 t90 -133.33 113.94 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -114.83 138.92 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.0 p -59.11 146.17 39.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 13' ' ' SER . 9.9 t -59.6 -41.56 90.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.61 -58.49 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.61 90.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -176.9 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.41 131.64 56.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 29' ' ' TRP . 11.8 p -148.67 136.29 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -129.28 148.93 51.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.91 126.56 41.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.1 p -138.87 124.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.665 ' CG1' HG23 ' A' ' 44' ' ' THR . 12.4 p -64.51 140.55 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 104' ' ' LEU . 52.7 mt -80.56 -27.89 37.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.598 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -55.28 -33.69 63.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.665 HG23 ' CG1' ' A' ' 41' ' ' VAL . 12.5 p -61.21 -28.9 69.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 62' ' ' LEU . 40.5 mm -61.12 152.65 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -124.77 -44.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -130.0 161.7 30.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.765 HD13 ' HG2' ' A' ' 105' ' ' GLN . 1.4 mt -126.41 133.95 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -152.51 141.09 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.611 ' CB ' HD12 ' A' ' 60' ' ' LEU . . . -146.99 167.11 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.524 HG22 HG12 ' B' ' 461' ' ' ILE . 19.2 p -73.35 153.93 90.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 51' ' ' THR . 50.8 Cg_endo -69.14 157.54 61.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.279 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.8 70.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -66.33 -30.81 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 t -60.12 125.26 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.18 -31.11 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 97.29 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.84 115.88 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.414 ' CE ' ' CH2' ' B' ' 458' ' ' TRP . 69.0 mtm -151.52 148.73 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -110.67 161.34 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 0.4 OUTLIER -140.69 139.6 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 104' ' ' LEU . 12.2 mt -124.61 132.0 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.533 HG23 ' HG2' ' A' ' 86' ' ' ARG . 19.6 mm -111.21 128.05 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.89 174.99 55.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 mttm . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.744 0.307 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.533 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.9 mtt180 -148.73 108.84 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -116.13 137.34 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -123.04 149.96 43.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.77 140.75 51.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.812 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.45 ' HG ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -92.49 126.56 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 97' ' ' MET . 53.9 m-85 -114.54 170.92 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 31.16 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -173.49 133.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.88 -31.85 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -67.85 -49.82 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.06 -48.93 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.623 ' HG2' HD13 ' A' ' 60' ' ' LEU . 8.6 ttp -60.19 -31.24 69.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -76.34 -31.11 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.51 -30.21 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 104' ' ' LEU . 31.6 mm -75.22 -52.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.4 ttmm -59.42 -46.32 89.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.5 ptp -58.22 -34.92 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.827 HG22 HD11 ' A' ' 107' ' ' ILE . 89.9 m -75.8 -45.6 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.63 -30.83 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.765 ' HG2' HD13 ' A' ' 48' ' ' LEU . 8.6 mm100 -69.11 -30.64 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -83.3 -34.94 25.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 104' ' ' LEU . 9.2 mt -64.91 -46.7 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -37.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.9 t -65.06 -27.93 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -86.57 -28.45 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 23' ' ' SER . 20.3 m-85 -96.08 -11.84 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.515 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.759 0.314 . . . . 0.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.529 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.831 0.348 . . . . 0.0 111.062 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.47 -30.6 47.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.48 -42.67 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.529 HG22 ' O ' ' B' ' 458' ' ' TRP . 12.1 tt -58.98 -27.64 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 41.9 m-85 -101.26 -31.35 11.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.812 0.339 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.8 p -176.37 159.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.52 146.39 8.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.57 95.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.669 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -113.54 127.14 55.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 mp -97.26 116.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 38.3 t80 -118.06 137.55 52.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.86 32.42 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.63 36.73 8.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 8' ' ' ILE . 41.2 t -131.33 135.11 60.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -79.33 105.05 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.35 -173.83 13.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -120.0 122.84 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.867 HG12 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.15 124.38 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.56 129.91 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.813 HD12 ' CG2' ' A' ' 103' ' ' THR . 27.8 mt -89.19 134.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -105.29 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -103.45 30.03 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.35 -31.69 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.888 HG22 ' HD2' ' A' ' 24' ' ' PRO . 13.4 p -95.29 146.87 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -50.75 -66.58 0.63 Allowed Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.709 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.888 ' HD2' HG22 ' A' ' 22' ' ' VAL . 19.0 Cg_endo -59.97 -16.55 39.48 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.11 . . . . 0.0 112.695 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.61 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 64.05 148.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.65 156.2 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.867 HD21 HG12 ' A' ' 16' ' ' ILE . 6.9 tt -111.63 148.03 34.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.774 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 m -121.08 141.0 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.655 ' O ' HG23 ' A' ' 37' ' ' VAL . 34.6 t90 -134.03 112.99 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -117.37 133.27 56.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 t -59.08 141.1 54.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -62.02 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -116.66 81.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.69 -132.86 1.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -162.26 36.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -122.05 118.77 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.7 p -135.43 139.89 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -134.37 150.64 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.84 147.53 49.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -142.12 137.41 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.749 ' O ' HG22 ' A' ' 44' ' ' THR . 21.6 t -77.85 134.35 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 18' ' ' ILE . 31.1 mt -80.5 -28.32 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.454 ' H ' HG12 ' A' ' 41' ' ' VAL . 19.3 p -57.02 -40.78 77.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 41' ' ' VAL . 10.8 t -61.12 -24.86 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.0 mm -66.12 152.48 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 31.1 t0 -120.62 -54.77 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.43 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.52 166.4 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 105' ' ' GLN . 0.1 OUTLIER -134.92 148.78 50.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.52 132.09 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.679 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -126.53 167.22 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.9 p -84.5 156.14 62.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 165.51 30.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.551 2.167 . . . . 0.0 112.345 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.2 49.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -32.08 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.9 m -79.05 132.11 36.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.18 -43.49 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.481 ' HB3' HD11 ' B' ' 461' ' ' ILE . 19.7 mmtp -67.49 85.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.95 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.435 ' HB2' ' CE1' ' B' ' 462' ' ' PHE . 1.7 mpp? -146.8 165.68 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 50' ' ' ALA . 5.6 mt -119.78 140.69 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.6 ttt180 -128.79 140.12 51.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.791 HD21 HD13 ' A' ' 104' ' ' LEU . 13.4 mt -121.9 142.61 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.739 HG23 ' HG2' ' A' ' 86' ' ' ARG . 23.0 mm -118.3 140.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.37 157.01 17.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.752 0.311 . . . . 0.0 110.789 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 63' ' ' ILE . 35.1 mtt180 -152.33 121.45 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -118.59 155.72 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.467 ' HE3' ' HE2' ' B' ' 462' ' ' PHE . 4.3 ppp? -134.6 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HE1' HD12 ' A' ' 62' ' ' LEU . 12.2 m-85 -129.68 164.41 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.1 142.64 35.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 28.1 m-85 -140.2 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -144.19 31.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.582 ' HB3' HG23 ' A' ' 96' ' ' VAL . 8.1 m120 -144.76 115.31 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -68.3 -30.23 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.3 m -83.42 -29.37 28.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.5 t -86.59 -37.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -57.0 -32.0 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.07 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.29 -29.82 38.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -67.56 -30.08 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.531 HG22 HD11 ' A' ' 104' ' ' LEU . 29.4 mm -74.36 -51.53 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 104' ' ' LEU . 24.3 ttmt -59.68 -46.57 88.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.8 ptp -59.09 -29.69 67.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.813 ' CG2' HD12 ' A' ' 18' ' ' ILE . 59.9 m -80.75 -25.52 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.791 HD13 HD21 ' A' ' 62' ' ' LEU . 6.0 mt -84.28 -27.4 27.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 48' ' ' LEU . 14.0 pt20 -81.01 -30.72 34.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -72.48 -41.24 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.1 -49.18 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 104' ' ' LEU . 32.7 mt -65.55 -46.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.8 p -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -69.43 -37.93 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -89.79 -11.91 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.364 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mttp . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.574 ' HA ' HG22 ' B' ' 461' ' ' ILE . 9.5 m95 . . . . . 0 CA--C 1.53 0.205 0 CA-C-O 120.607 0.242 . . . . 0.0 111.459 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.5 53.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -100.08 -6.07 26.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' B' ' 458' ' ' TRP . 10.0 tt -100.05 -44.82 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.49 ' N ' HG23 ' B' ' 461' ' ' ILE . 44.6 m-85 -81.57 -57.24 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.6 m80 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 p -170.42 161.52 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.546 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -168.69 155.48 26.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.577 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 96.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 111.208 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -113.57 136.54 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 12' ' ' VAL . 21.3 mt -114.25 125.63 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.405 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 3.0 t80 -123.83 123.3 40.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 mt-10 62.7 49.21 3.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.077 0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt 56.42 33.09 21.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.198 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 8' ' ' ILE . 92.8 t -119.51 118.17 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 111.062 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -74.96 108.58 7.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.68 179.06 23.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.6 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mm -113.94 137.77 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.984 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 tt -101.13 150.01 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.7 119.48 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.573 HG23 HD11 ' A' ' 42' ' ' LEU . 28.8 mt -89.16 134.54 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -102.19 104.29 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.57 25.54 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -96.86 -30.88 12.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.723 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.944 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.3 p -101.99 147.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.639 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -43.26 -68.87 0.24 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.101 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' A' ' 22' ' ' VAL . 55.6 Cg_endo -69.2 81.31 0.68 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.269 1.98 . . . . 0.0 111.506 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.66 130.79 4.05 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -121.79 152.29 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.984 HD21 HD11 ' A' ' 16' ' ' ILE . 5.9 tt -118.47 115.47 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -98.43 148.01 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.599 ' O ' HG23 ' A' ' 37' ' ' VAL . 59.7 t90 -139.7 110.34 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -109.29 131.56 54.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -57.92 162.26 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -57.56 -39.91 77.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -91.24 -31.23 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.81 34.68 5.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.06 -37.21 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -130.84 134.04 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.5 p -148.74 129.15 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -129.77 150.54 51.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 144.79 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.11 137.06 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 44' ' ' THR . 23.6 t -74.87 119.27 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.901 HD22 HD21 ' A' ' 104' ' ' LEU . 60.6 mt -67.98 -28.88 67.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -56.51 -30.42 62.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.53 HG23 ' HB ' ' A' ' 41' ' ' VAL . 45.6 p -66.0 -29.32 69.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 46' ' ' ASP . 38.1 mm -59.98 157.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 45' ' ' ILE . 36.5 t0 -124.59 -54.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -130.06 161.43 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 104' ' ' LEU . 3.6 mp -121.97 145.4 48.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -152.44 143.7 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.85 167.15 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.658 HG22 HG12 ' B' ' 461' ' ' ILE . 17.2 p -70.19 149.74 96.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.22 165.43 31.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.628 2.219 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -31.49 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -67.85 -32.38 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.4 t -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.1 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -82.16 106.73 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.442 ' HE3' ' N ' ' A' ' 93' ' ' ASN . 19.3 mtm -86.63 113.44 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.408 ' HE3' ' CZ ' ' B' ' 462' ' ' PHE . 24.8 mtm -147.59 152.96 38.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 101' ' ' LYS . 1.2 tp -110.65 159.2 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.0 OUTLIER -145.8 143.5 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.585 ' O ' HD13 ' A' ' 63' ' ' ILE . 8.5 mt -124.54 142.5 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.642 HD12 ' HG3' ' A' ' 86' ' ' ARG . 7.8 mm -123.46 112.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.27 174.27 55.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.541 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.795 0.331 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.642 ' HG3' HD12 ' A' ' 63' ' ' ILE . 5.5 mpt_? -141.18 105.49 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -113.54 130.14 56.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.3 ptm -116.2 139.27 50.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -124.25 163.85 20.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.82 122.85 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.22 170.89 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -127.63 30.96 5.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.442 ' N ' ' HE3' ' A' ' 58' ' ' MET . 13.4 m-20 -172.42 142.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -82.71 -31.6 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -72.04 -43.36 65.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.24 -51.77 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.1 ptm -60.17 -31.14 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.94 -31.48 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 102' ' ' MET . 3.0 m-20 -80.06 -24.79 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.641 HG22 HD12 ' A' ' 104' ' ' LEU . 30.0 mm -76.64 -52.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.527 ' HB2' HD11 ' A' ' 60' ' ' LEU . 15.7 ttmt -62.25 -45.39 93.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -60.2 -31.43 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.3 m -84.21 -26.46 28.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.901 HD21 HD22 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -80.73 -29.4 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.577 ' HG2' HD13 ' A' ' 48' ' ' LEU . 7.9 mt-30 -74.98 -40.0 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.67 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 104' ' ' LEU . 15.4 mt -68.38 -58.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.95 -32.07 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -76.3 -31.49 58.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -72.64 -31.4 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.22 10.88 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.7 mttm . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.858 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.487 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.811 0.338 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.68 -32.04 59.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -70.81 -45.41 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.658 HG12 HG22 ' A' ' 51' ' ' THR . 11.9 tt -59.05 -29.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 39.7 m-85 -102.99 1.8 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.454 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.331 -0.205 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.387 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.513 ' HD2' HG21 ' A' ' 103' ' ' THR . 78.4 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 p -176.71 131.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.15 139.34 7.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.33 102.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.64 133.43 55.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -99.04 115.6 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 15.2 t80 -119.23 134.84 54.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 62.53 33.15 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? 64.32 35.34 9.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 8' ' ' ILE . 39.2 t -127.87 136.6 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 110.57 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.34 168.27 29.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mm -105.58 134.66 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 111.061 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.948 HD11 HD21 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.09 151.11 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.68 129.02 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.599 HG23 HD12 ' A' ' 42' ' ' LEU . 30.0 mt -98.97 135.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -102.77 97.55 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -84.6 -23.95 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -53.53 -30.96 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.77 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -90.84 146.81 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -57.81 -65.83 1.63 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.656 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.77 ' HD2' HG22 ' A' ' 22' ' ' VAL . 20.6 Cg_endo -60.99 -15.36 38.51 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.801 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . 62.87 150.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -144.82 146.98 32.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.948 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -116.22 107.96 15.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -98.02 136.76 37.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.66 ' O ' HG23 ' A' ' 37' ' ' VAL . 50.2 t90 -128.39 117.53 21.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 137.28 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 t -59.01 157.79 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -58.93 -31.42 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -96.09 -44.24 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.21 46.79 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.62 -42.32 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -127.14 125.23 40.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.6 p -139.39 137.38 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 39' ' ' THR . 12.7 t60 -144.0 150.64 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 3.5 m -127.14 146.09 50.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.05 146.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.797 ' O ' HG22 ' A' ' 44' ' ' THR . 21.5 t -73.89 128.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 104' ' ' LEU . 18.9 mt -80.62 -29.83 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -58.52 -39.66 80.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 41' ' ' VAL . 13.3 t -59.23 -27.39 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.57 151.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -124.92 -50.26 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -130.1 132.91 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.571 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.715 HD21 ' HG2' ' A' ' 105' ' ' GLN . 4.0 pp -120.84 136.24 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.0 164.2 21.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.73 167.18 29.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.5 p -87.42 150.77 49.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.42 164.47 35.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.579 2.186 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.45 68.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -66.39 -31.3 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.3 t -60.18 127.29 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.11 -31.16 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 117.79 34.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -90.93 118.86 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mtm -145.42 164.83 30.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 61' ' ' ARG . 1.3 tt -132.18 160.23 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.498 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.74 142.5 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 104' ' ' LEU . 11.2 mt -124.68 142.38 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.538 HG23 ' HG2' ' A' ' 86' ' ' ARG . 10.9 mm -117.45 111.11 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.67 -174.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.589 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.6 mttm . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.96 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.79 0.328 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HG2' HG23 ' A' ' 63' ' ' ILE . 58.5 mtt180 -150.03 117.96 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -120.15 140.13 51.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.3 ptm -121.06 122.4 40.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 17.7 m-85 -110.5 164.46 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.51 157.37 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -145.54 147.71 32.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.15 -31.66 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.53 145.11 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.1 m -60.09 -47.82 84.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.91 -41.26 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -60.29 -32.68 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -75.5 -31.73 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.65 -39.96 94.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.646 HG22 ' CD1' ' A' ' 104' ' ' LEU . 31.6 mm -68.72 -55.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.5 ttmm -58.17 -49.16 77.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.5 -52.35 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 107' ' ' ILE . 87.6 m -61.11 -40.73 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 107' ' ' ILE . 22.0 mt -59.94 -46.38 89.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.715 ' HG2' HD21 ' A' ' 48' ' ' LEU . 3.8 mm100 -59.46 -30.67 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -76.6 -42.26 43.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 104' ' ' LEU . 6.5 mt -62.39 -39.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.69 ' CD1' HD23 ' A' ' 48' ' ' LEU . 18.1 mt -72.68 -36.9 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -67.85 -31.97 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.14 -41.19 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -93.52 9.78 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.775 0.321 . . . . 0.0 111.08 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.89 -27.69 36.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.058 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.08 -39.77 20.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.124 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 9.5 tt -56.69 -28.65 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.374 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 48.9 m-85 -102.18 -29.01 11.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.11 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 103' ' ' THR . 1.8 m80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.842 0.353 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -177.21 140.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.446 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -157.62 146.4 13.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.04 118.17 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.054 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.23 134.64 42.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mp -102.16 129.9 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 89' ' ' PHE . 10.9 t80 -130.46 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 tt0 61.0 43.9 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 60.09 35.47 21.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 8' ' ' ILE . 48.4 t -127.12 132.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 32' ' ' THR . 77.6 p -86.15 119.01 25.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.82 172.33 33.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.6 135.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.669 ' CD1' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.0 129.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.9 124.27 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.705 HG12 HD23 ' A' ' 27' ' ' LEU . 22.8 mt -89.82 136.75 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -103.34 109.44 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.47 -25.06 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.39 -30.97 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.892 0.377 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.852 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.4 p -97.83 145.62 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.76 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.521 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER -58.24 -67.54 0.91 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 22' ' ' VAL . 86.0 Cg_exo -43.91 -28.89 2.29 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.336 2.024 . . . . 0.0 112.579 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.487 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.52 121.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.744 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.74 146.24 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.705 HD23 HG12 ' A' ' 18' ' ' ILE . 3.4 tm? -108.49 111.03 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.436 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.411 HG23 ' OG1' ' A' ' 39' ' ' THR . 0.5 OUTLIER -97.72 148.9 22.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.182 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.477 ' O ' HG23 ' A' ' 37' ' ' VAL . 60.6 t90 -139.75 107.54 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.574 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 132.52 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.3 p -59.42 156.3 13.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 13' ' ' SER . 41.3 p -57.7 -38.9 76.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -30.86 45.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 39.15 5.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.6 -32.22 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -125.64 126.31 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.0 p -148.75 143.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -145.1 150.61 37.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' HG23 ' A' ' 28' ' ' THR . 29.7 m -117.96 145.19 44.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.3 p -142.15 123.75 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.683 ' HB ' HG23 ' A' ' 44' ' ' THR . 39.0 t -61.06 119.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.721 ' CD1' HD13 ' A' ' 107' ' ' ILE . 33.9 mt -64.02 -28.95 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.408 ' H ' HG12 ' A' ' 41' ' ' VAL . 26.2 t -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.683 HG23 ' HB ' ' A' ' 41' ' ' VAL . 33.3 p -66.65 -27.17 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.984 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.704 HD12 HD23 ' A' ' 62' ' ' LEU . 35.3 mm -57.89 154.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.052 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 45' ' ' ILE . 8.9 t0 -115.63 -54.83 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -139.77 171.3 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.981 HD11 HD12 ' A' ' 108' ' ' ILE . 4.9 mp -125.36 140.76 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -152.6 139.43 18.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.014 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.722 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -142.49 167.22 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.483 HG22 HG12 ' B' ' 461' ' ' ILE . 16.2 p -79.18 154.24 77.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 151.58 68.08 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.534 2.156 . . . . 0.0 112.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -28.78 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 m -66.36 -30.2 70.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -59.23 150.44 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.19 -47.63 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 127.38 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.7 mtm -96.97 113.75 25.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 77.5 mtm -151.41 165.69 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.722 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 2.8 tt -135.31 140.38 45.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HB2' ' CG ' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -116.98 112.0 20.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -90.73 142.53 27.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.958 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' CG ' ' A' ' 86' ' ' ARG . 30.5 mm -111.46 140.54 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.37 163.32 16.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.834 0.35 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.477 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -165.99 101.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -121.13 129.12 53.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 149.87 32.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 9' ' ' PHE . 88.0 m-85 -122.6 162.57 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -106.66 153.09 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -150.45 169.06 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -137.23 31.4 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.658 ' OD1' HG23 ' A' ' 96' ' ' VAL . 1.4 t-20 -154.01 141.26 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -31.27 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.2 m -80.17 -45.96 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.658 HG23 ' OD1' ' A' ' 93' ' ' ASN . 26.4 t -62.59 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.81 -31.57 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.6 -31.92 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.62 -41.73 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.775 HG22 HD13 ' A' ' 104' ' ' LEU . 28.2 mm -68.77 -54.65 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -58.85 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.3 ttp -58.82 -43.87 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 3' ' ' HIS . 87.1 m -71.47 -28.25 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.782 ' HA ' HD12 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -77.94 -29.33 49.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.894 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.752 ' HG2' HD13 ' A' ' 48' ' ' LEU . 11.2 mt-30 -72.03 -30.34 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -73.93 -28.7 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.6 mt -72.85 -39.98 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.981 HD12 HD11 ' A' ' 48' ' ' LEU . 25.7 mt -75.32 -37.44 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -65.27 -31.34 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -74.71 -31.91 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -101.06 10.3 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.322 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.463 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.44 -28.76 46.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -86.74 -42.29 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.483 HG12 HG22 ' A' ' 51' ' ' THR . 9.7 tt -56.09 -29.04 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.295 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.45 ' CG ' ' HB2' ' A' ' 61' ' ' ARG . 37.2 m-85 -105.64 12.3 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.393 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.912 0.387 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.9 p -165.26 148.35 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.05 143.15 9.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.49 100.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.04 137.24 51.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mp -98.53 137.37 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 13.0 t80 -135.83 116.69 14.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.7 mt-10 62.96 51.73 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.67 30.19 18.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.158 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 8' ' ' ILE . 58.3 t -121.54 127.63 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.2 108.82 17.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.4 169.73 25.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 mm -108.23 135.24 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.011 HD11 HD21 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -101.05 144.87 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 119.68 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.8 mt -89.37 136.13 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -106.37 110.82 23.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.48 29.13 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.31 -32.19 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.916 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -104.35 148.39 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.84 -64.97 0.9 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' A' ' 22' ' ' VAL . 18.0 Cg_endo -59.22 -17.74 40.86 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.585 2.19 . . . . 0.0 112.581 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.691 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 62.52 169.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.978 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG2' HG22 ' A' ' 41' ' ' VAL . 41.4 mt-10 -156.66 146.08 20.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.011 HD21 HD11 ' A' ' 16' ' ' ILE . 6.7 tt -113.63 112.61 23.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -97.78 147.97 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.695 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.4 t90 -137.77 107.58 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -106.13 125.53 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -57.68 160.87 4.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -58.15 -32.12 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -96.85 -38.97 9.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.95 45.5 1.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.7 -40.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -119.27 121.22 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 29' ' ' TRP . 14.5 p -147.39 139.31 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -144.24 150.64 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.27 108.97 17.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.52 129.8 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.866 ' O ' HG22 ' A' ' 44' ' ' THR . 32.7 t -75.46 120.04 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.941 HD22 HD21 ' A' ' 104' ' ' LEU . 68.3 mt -55.87 -25.46 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.617 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -56.23 -31.6 63.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.866 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.5 t -65.51 -27.89 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.26 152.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -124.89 -51.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CG ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.06 171.41 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 105' ' ' GLN . 3.6 mt -128.04 125.01 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -143.0 136.01 28.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.954 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -133.27 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.552 HG22 HG12 ' B' ' 461' ' ' ILE . 18.1 p -72.42 153.42 91.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 152.32 68.81 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.98 -28.88 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -58.7 135.38 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.09 -37.88 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 137.64 41.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -101.88 125.52 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.2 mtm -150.72 165.67 32.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 50' ' ' ALA . 1.8 mt -127.84 153.35 46.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.3 ttt180 -138.1 143.8 40.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 HD23 ' A' ' 48' ' ' LEU . 4.9 mt -124.62 140.21 53.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' HD3' ' A' ' 86' ' ' ARG . 42.4 mm -105.28 123.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 170.28 18.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttm . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.874 0.369 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.638 ' HD3' HD12 ' A' ' 63' ' ' ILE . 11.7 mtt-85 -152.31 115.54 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -101.72 121.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.6 ptm -110.92 141.81 43.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -126.96 164.33 21.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -113.57 154.84 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -146.89 170.59 16.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -131.87 31.06 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.597 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.1 m120 -171.0 127.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -72.94 -31.48 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.8 m -76.16 -34.97 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.597 HG23 ' HB3' ' A' ' 93' ' ' ASN . 22.0 t -76.16 -52.36 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.673 ' HB2' HD12 ' A' ' 60' ' ' LEU . 2.2 ppp? -60.32 -33.81 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -31.36 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.52 -28.09 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.8 mm -73.52 -51.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.17 -47.36 85.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.3 ptp -58.55 -31.21 67.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.4 m -83.68 -26.08 30.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.941 HD21 HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -81.74 -27.38 33.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.648 ' HB3' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -78.1 -30.53 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -73.29 -29.62 62.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 42' ' ' LEU . 14.3 mt -76.32 -41.88 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.4 mt -73.85 -33.4 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.3 p -62.5 -28.49 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -89.4 -27.14 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 14.9 m-30 -95.64 -11.91 26.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.7 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 0.0 111.012 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.752 0.311 . . . . 0.0 110.941 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -83.45 -27.19 29.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -92.4 -34.75 14.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 51' ' ' THR . 11.7 tt -58.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.478 ' N ' HG23 ' B' ' 461' ' ' ILE . 64.2 m-85 -91.59 12.19 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.398 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 . . . . . 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.1 m80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.833 0.349 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m 60.17 159.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.11 164.87 31.54 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.85 121.46 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.0 mp -101.85 117.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 14.9 t80 -121.53 134.72 55.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.18 35.17 15.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.95 31.66 13.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 8' ' ' ILE . 46.3 t -125.69 133.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.8 p -81.58 117.08 21.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.542 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -153.09 168.58 31.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.8 mm -105.54 136.56 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.037 HD11 HD21 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.14 134.59 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.046 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.67 115.89 22.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -89.11 133.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -109.05 97.46 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -105.92 27.73 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.11 -30.84 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.734 HG23 ' H ' ' A' ' 25' ' ' ALA . 10.8 m -83.85 -178.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.06 -60.86 2.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.348 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 62.5 Cg_endo -73.33 -33.13 7.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.532 2.154 . . . . 0.0 112.747 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.734 ' H ' HG23 ' A' ' 22' ' ' VAL . . . 64.18 132.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG2' HG22 ' A' ' 41' ' ' VAL . 32.0 mt-10 -132.51 169.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 111.441 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.037 HD21 HD11 ' A' ' 16' ' ' ILE . 5.7 tt -123.82 116.0 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.552 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.409 ' HA ' HG23 ' A' ' 39' ' ' THR . 2.6 m -97.71 150.72 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.123 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.2 t90 -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -111.06 136.96 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 t -59.39 144.25 47.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' HA2' ' A' ' 14' ' ' GLY . 17.6 p -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -168.58 76.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.97 -111.47 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -174.42 36.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 119.79 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.2 p -132.95 139.27 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -132.83 147.31 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -127.91 147.84 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -141.52 120.9 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.887 ' O ' HG22 ' A' ' 44' ' ' THR . 42.1 t -76.75 103.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.925 HD22 HD21 ' A' ' 104' ' ' LEU . 68.7 mt -55.38 -23.74 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -42.95 89.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.887 HG22 ' O ' ' A' ' 41' ' ' VAL . 12.9 t -71.11 -27.38 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.19 151.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -122.41 -44.0 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -129.99 166.7 19.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.748 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.2 pp -148.51 115.04 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.86 164.14 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.985 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -148.46 146.48 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 59' ' ' MET . 29.6 p -59.52 149.28 71.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.19 158.23 57.06 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.537 2.158 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.11 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -66.35 -30.23 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -59.44 129.03 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.89 -30.99 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 118.75 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -84.62 122.44 29.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.477 ' C ' HD12 ' A' ' 60' ' ' LEU . 3.4 mtm -142.26 152.28 42.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 10.7 mp -123.64 152.34 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.548 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -145.87 152.09 38.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.649 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -121.68 142.48 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.477 HD11 ' NE ' ' A' ' 61' ' ' ARG . 21.7 mm -98.44 139.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.79 163.96 48.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 -179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.795 0.331 . . . . 0.0 110.822 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.44 ' HG3' HG23 ' A' ' 63' ' ' ILE . 2.5 mpt_? -131.34 107.09 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -101.82 143.24 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.781 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.76 139.12 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.57 163.16 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.82 138.53 45.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.84 170.9 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -138.33 34.31 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.63 ' HB3' HG23 ' A' ' 96' ' ' VAL . 15.3 m-20 -167.67 141.29 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -82.42 -38.14 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.32 -31.09 62.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 93' ' ' ASN . 24.8 t -74.25 -36.7 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 60' ' ' LEU . 5.8 ptm -77.98 -31.29 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.37 -31.13 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -74.51 -30.35 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mm -75.47 -51.13 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.748 ' HG3' HD13 ' A' ' 48' ' ' LEU . 6.2 ttpp -60.24 -45.92 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -58.73 -31.5 68.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.975 HG22 HD11 ' A' ' 107' ' ' ILE . 81.1 m -72.46 -52.93 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.925 HD21 HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -58.63 -41.08 85.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.666 ' HG2' HD11 ' A' ' 48' ' ' LEU . 4.7 mm100 -58.48 -30.62 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -86.73 -43.31 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 103' ' ' THR . 13.7 mt -63.77 -44.32 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.039 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.524 HD11 HD23 ' A' ' 104' ' ' LEU . 16.1 mt -71.47 -30.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -82.84 -31.03 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 mtp-105 -71.87 -34.47 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 22.9 m-85 -91.08 10.75 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.337 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mttm . . . . . 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.667 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.762 0.315 . . . . 0.0 111.105 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.6 -28.07 56.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -46.48 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.667 HG22 ' O ' ' B' ' 458' ' ' TRP . 11.5 tt -56.86 -25.06 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.45 ' CD2' HG23 ' B' ' 461' ' ' ILE . 40.1 m-85 -100.46 -30.56 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.866 0.365 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.7 p -176.85 140.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.02 135.61 3.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -62.21 101.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.672 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -113.61 142.66 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 12' ' ' VAL . 4.0 mp -107.77 124.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 4.7 t80 -124.0 128.87 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.2 tt0 59.62 43.98 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.32 30.39 19.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.048 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 8' ' ' ILE . 57.1 t -122.33 129.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.29 120.0 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.64 170.55 33.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.63 136.03 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.94 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 tt -101.1 151.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.73 127.68 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mt -97.31 135.53 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -116.96 115.12 24.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.6 29.69 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.95 -31.98 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.787 HG22 ' HD2' ' A' ' 24' ' ' PRO . 7.8 p -120.17 151.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.527 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -46.46 -59.63 4.76 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.761 -179.329 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.787 ' HD2' HG22 ' A' ' 22' ' ' VAL . 33.3 Cg_exo -57.74 -18.45 33.82 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.359 2.04 . . . . 0.0 112.533 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 41' ' ' VAL . . . 68.37 174.94 0.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.493 ' OE1' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -153.45 132.96 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.193 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -114.76 107.96 16.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.432 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.481 ' HA ' HG23 ' A' ' 39' ' ' THR . 2.0 m -98.14 136.87 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.695 ' O ' HG23 ' A' ' 37' ' ' VAL . 70.2 t90 -129.26 107.49 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.687 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -107.98 140.38 41.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.7 p -58.17 157.31 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.9 -61.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.61 62.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -132.1 -60.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -102.15 136.29 42.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.9 p -148.75 139.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -137.88 144.78 41.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -127.93 138.77 52.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 HD22 ' A' ' 27' ' ' LEU . 10.6 p -142.14 130.23 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 44' ' ' THR . 28.1 t -68.24 118.78 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.518 HD22 ' HG ' ' A' ' 104' ' ' LEU . 66.7 mt -58.29 -23.7 57.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.609 ' H ' HG12 ' A' ' 41' ' ' VAL . 1.1 t -56.86 -31.62 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.141 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.874 HG22 ' O ' ' A' ' 41' ' ' VAL . 15.0 t -66.3 -29.18 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.004 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 62' ' ' LEU . 42.3 mm -59.9 151.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -124.87 -49.94 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -130.04 162.49 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.853 HD11 HD12 ' A' ' 108' ' ' ILE . 5.5 mp -123.16 141.94 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -152.61 130.9 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -138.9 167.23 22.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 HG12 ' B' ' 461' ' ' ILE . 14.3 p -75.56 154.18 85.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.81 160.54 49.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.571 2.18 . . . . 0.0 112.301 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.55 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.36 -31.54 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.6 p -61.86 142.63 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -80.81 -51.87 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -76.28 93.24 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.65 113.33 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mtm -147.27 165.76 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.69 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -136.53 164.5 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.482 ' N ' HD23 ' A' ' 60' ' ' LEU . 13.8 ttp85 -145.78 112.49 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.609 HD12 ' HE2' ' A' ' 89' ' ' PHE . 6.8 mt -92.85 142.02 27.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 86' ' ' ARG . 6.3 mm -115.5 107.39 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 169.22 40.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.557 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mttt . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.804 0.335 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HG2' HD12 ' A' ' 63' ' ' ILE . 87.8 mtt180 -148.92 99.52 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -115.4 154.5 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.436 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.0 ppp? -136.32 150.06 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.609 ' HE2' HD12 ' A' ' 62' ' ' LEU . 74.0 m-85 -136.16 126.0 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.437 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -82.13 153.13 26.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.672 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 14.5 m-85 -143.51 166.62 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -130.7 34.33 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.453 ' ND2' HG22 ' A' ' 95' ' ' THR . 0.1 OUTLIER -167.41 128.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -68.59 -40.97 80.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' ND2' ' A' ' 93' ' ' ASN . 2.0 t -67.25 -39.61 86.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.3 t -73.58 -38.85 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.018 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.7 ttp -71.84 -33.64 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -31.72 71.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -66.28 -37.54 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.643 HG22 HD13 ' A' ' 104' ' ' LEU . 30.4 mm -68.79 -54.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -58.79 -42.1 88.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.4 ttp -64.95 -44.48 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.888 HG22 HD11 ' A' ' 107' ' ' ILE . 84.4 m -65.63 -48.82 70.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.762 ' HA ' HD12 ' A' ' 107' ' ' ILE . 4.8 mp -60.14 -41.85 93.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.662 ' HG2' HD13 ' A' ' 48' ' ' LEU . 15.0 mt-30 -59.41 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -81.16 -40.67 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.888 HD11 HG22 ' A' ' 103' ' ' THR . 7.1 mt -64.42 -42.77 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 48' ' ' LEU . 17.0 mt -72.51 -40.59 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 m -69.87 -31.51 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.55 -31.68 72.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 107' ' ' ILE . 4.8 m-85 -97.72 9.16 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.367 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.9 mttp . . . . . 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.473 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.777 0.322 . . . . 0.0 110.933 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.73 -33.83 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.02 -44.07 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.48 HG12 HG22 ' A' ' 51' ' ' THR . 10.4 tt -64.02 -26.0 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.425 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.437 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 28.8 m-85 -99.29 -28.71 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.236 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.447 ' CG ' HG21 ' A' ' 103' ' ' THR . 14.8 m-70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.791 0.329 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -163.57 163.57 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.425 ' HA3' HG13 ' A' ' 96' ' ' VAL . . . -173.92 156.92 24.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.45 107.25 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.787 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -127.39 156.29 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.005 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.78 HG23 ' O ' ' A' ' 12' ' ' VAL . 26.1 mt -130.64 115.69 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.482 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.5 t80 -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 60.98 30.91 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.95 37.83 9.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.034 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 8' ' ' ILE . 55.7 t -128.37 129.37 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.426 ' C ' HG23 ' A' ' 32' ' ' THR . 10.2 m -75.35 121.69 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.06 -177.23 34.93 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.0 mm -112.74 128.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.898 HG12 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.12 125.79 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.59 136.95 43.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.536 HG21 HD11 ' A' ' 107' ' ' ILE . 29.1 mt -89.18 135.03 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -107.55 112.22 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.98 26.52 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -97.78 22.66 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.896 HG22 ' HD2' ' A' ' 24' ' ' PRO . 9.6 p -154.23 146.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -44.29 -69.57 0.22 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.892 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.896 ' HD2' HG22 ' A' ' 22' ' ' VAL . 56.6 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.119 1.88 . . . . 0.0 111.469 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.07 118.97 1.08 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.732 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -121.7 147.57 45.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.094 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.898 HD21 HG12 ' A' ' 16' ' ' ILE . 7.3 tt -111.79 130.2 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -99.04 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.686 ' O ' HG23 ' A' ' 37' ' ' VAL . 29.1 t90 -142.53 112.28 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.729 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -115.6 132.35 56.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 p -58.1 154.67 12.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 13' ' ' SER . 43.6 p -57.64 -48.49 79.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.96 -31.62 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.21 44.08 4.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -115.58 -38.78 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.19 135.97 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.8 p -148.05 127.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -127.7 150.57 49.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 147.77 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.8 p -135.8 112.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.486 ' HB ' HG23 ' A' ' 44' ' ' THR . 21.3 t -64.72 104.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.06 HD22 HD21 ' A' ' 104' ' ' LEU . 48.6 mt -60.39 -28.04 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -56.57 -30.48 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.486 HG23 ' HB ' ' A' ' 41' ' ' VAL . 43.8 p -68.81 -28.76 67.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 46' ' ' ASP . 37.4 mm -61.48 154.55 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 45' ' ' ILE . 17.1 t0 -119.59 -49.76 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.06 158.81 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.82 HD13 ' HG3' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -108.44 140.87 41.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -143.53 143.65 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.936 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -151.47 162.34 41.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 HG12 ' B' ' 461' ' ' ILE . 16.3 p -69.15 154.07 95.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 161.81 44.46 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.587 2.192 . . . . 0.0 112.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -66.38 -32.03 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 123.16 17.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.01 -32.17 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 110.31 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtm -86.43 118.35 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -141.89 162.71 34.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 50' ' ' ALA . 13.8 tp -129.62 147.31 51.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.2 ttt180 -145.85 133.18 20.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 62' ' ' LEU . 2.1 mm? -104.1 142.51 34.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.575 HD12 ' HG2' ' A' ' 86' ' ' ARG . 23.7 mm -107.24 99.91 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.96 172.74 6.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.344 . . . . 0.0 110.865 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.575 ' HG2' HD12 ' A' ' 63' ' ' ILE . 84.5 mtt180 -144.14 123.38 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -115.01 117.29 30.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.426 ' HE1' ' HE1' ' B' ' 458' ' ' TRP . 5.0 ppp? -101.52 149.46 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 64.2 m-85 -131.63 154.06 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.92 128.93 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -127.28 170.53 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -141.54 31.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.589 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.3 m120 -169.91 123.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -37.46 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 m -61.41 -33.06 73.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.4 t -74.12 -50.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -60.38 -32.71 71.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -63.31 -36.89 85.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -72.76 -39.77 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.903 HG22 HD12 ' A' ' 104' ' ' LEU . 29.8 mm -69.69 -54.83 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.4 ttmt -57.97 -49.06 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.61 -50.95 71.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.447 HG21 ' CG ' ' A' ' 3' ' ' HIS . 86.2 m -62.63 -41.48 99.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 1.06 HD21 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -59.34 -40.54 86.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.82 ' HG3' HD13 ' A' ' 48' ' ' LEU . 23.4 mt-30 -61.09 -31.07 70.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -72.32 -31.21 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.536 HD11 HG21 ' A' ' 18' ' ' ILE . 34.4 mt -74.12 -34.93 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.748 HD12 HD12 ' A' ' 48' ' ' LEU . 27.1 mt -77.28 -41.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 p -67.76 -31.4 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -71.56 -32.13 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 107' ' ' ILE . 23.3 m-85 -91.87 11.25 25.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.305 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.518 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.769 0.319 . . . . 0.0 110.866 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.22 -38.81 85.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.99 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 458' ' ' TRP . 11.4 tt -60.88 -29.33 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 41.8 m-85 -103.89 12.1 34.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.363 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.2 m80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.875 0.369 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -156.74 141.47 16.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.53 164.0 36.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.541 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.57 123.85 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.628 ' N ' HD12 ' A' ' 8' ' ' ILE . 2.4 mp -109.98 129.31 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 5.8 t80 -103.04 101.75 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 8.3 pt-20 40.16 22.0 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' GLU . 6.0 mttt 158.58 -62.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.7 t -69.73 132.2 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.6 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -110.1 114.67 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.5 -169.58 11.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -108.66 130.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.334 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.927 HD11 HD21 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -101.01 151.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 126.15 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 42' ' ' LEU . 29.7 mt -101.24 134.31 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -104.11 97.86 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' A' ' 103' ' ' THR . 4.2 mt-10 -82.44 -22.63 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.52 -30.0 28.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.823 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -93.89 146.66 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.5 m -56.42 -66.08 1.32 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.663 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.823 ' HD2' HG22 ' A' ' 22' ' ' VAL . 23.2 Cg_endo -61.56 -14.31 34.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 112.77 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . 63.76 154.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.88 137.34 26.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.927 HD21 HD11 ' A' ' 16' ' ' ILE . 6.6 tt -114.06 107.94 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -100.93 135.91 41.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.074 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.754 ' O ' HG23 ' A' ' 37' ' ' VAL . 60.1 t90 -123.65 110.78 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -106.52 138.5 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.54 144.3 57.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 m -60.12 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -148.45 83.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.41 -127.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -160.18 31.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.74 118.91 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.0 p -141.22 137.84 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -130.52 148.44 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -127.93 132.16 49.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.5 p -142.11 122.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.719 ' HB ' HG23 ' A' ' 44' ' ' THR . 25.5 t -60.33 126.54 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.601 HD22 ' CG ' ' A' ' 104' ' ' LEU . 84.9 mt -65.17 -31.21 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.492 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -57.01 -28.6 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.719 HG23 ' HB ' ' A' ' 41' ' ' VAL . 30.8 p -64.92 -28.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.413 HG13 HD21 ' A' ' 104' ' ' LEU . 40.7 mm -57.82 152.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -122.5 -40.61 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -130.03 169.92 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.679 HD23 HD23 ' A' ' 62' ' ' LEU . 24.9 mt -135.45 112.93 10.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.8 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.58 131.12 43.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -146.13 167.25 23.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.749 HG22 ' O ' ' B' ' 461' ' ' ILE . 12.4 p -83.2 147.21 53.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.44 165.53 32.41 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.542 2.161 . . . . 0.0 112.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.88 -29.77 67.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -66.44 -31.28 71.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.8 p -60.04 153.27 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -79.74 -40.47 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -95.57 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mtp -80.36 113.38 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.572 ' O ' HG23 ' A' ' 51' ' ' THR . 51.5 mtm -151.53 163.44 39.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.625 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 7.5 tt -133.36 159.29 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.552 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.6 ttt180 -145.83 135.76 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.679 HD23 HD23 ' A' ' 48' ' ' LEU . 6.2 mt -113.85 142.54 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.749 HD12 ' HG2' ' A' ' 86' ' ' ARG . 11.1 mm -113.36 120.52 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.39 164.04 43.35 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.85 0.357 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.749 ' HG2' HD12 ' A' ' 63' ' ' ILE . 33.3 mtm180 -109.44 110.88 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -101.77 129.89 48.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.44 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.3 ptm -110.47 114.69 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -110.41 136.48 49.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -91.71 158.02 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 100' ' ' ILE . 35.2 m-85 -140.67 170.85 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.22 34.19 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.419 ' HB3' HG23 ' A' ' 96' ' ' VAL . 1.1 t30 -169.55 124.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -34.05 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.72 -37.27 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.3 t -79.79 -46.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.418 ' HA ' ' CD2' ' A' ' 91' ' ' PHE . 27.1 ttp -59.99 -32.13 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -82.64 -31.62 28.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.8 -26.77 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.42 HG13 ' CE2' ' A' ' 91' ' ' PHE . 35.1 mm -74.41 -51.65 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -59.02 -47.19 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -58.12 -28.57 64.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.996 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.433 HG23 ' OE2' ' A' ' 20' ' ' GLU . 64.5 m -82.35 -31.27 29.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.817 ' CD2' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -79.9 -42.21 24.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -57.98 -29.14 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -44.83 20.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.7 mt -64.57 -42.38 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.817 HD11 ' CD2' ' A' ' 104' ' ' LEU . 21.1 mt -72.46 -42.44 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 m -68.7 -31.93 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.6 mtp85 -70.41 -30.96 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -104.9 9.95 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.368 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt . . . . . 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.966 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.712 ' CE3' HD12 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 111.078 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.4 -21.72 63.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.02 1.71 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.626 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.749 ' O ' HG22 ' A' ' 51' ' ' THR . 41.3 mt -100.13 -33.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.4 m-85 -109.75 8.08 24.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.569 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.832 179.838 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 m80 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.826 0.346 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -167.48 -178.44 3.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.57 160.75 10.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.87 135.83 57.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.863 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -153.26 129.27 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -102.79 120.54 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 7.2 t80 -102.92 114.69 29.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 73.88 -45.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.529 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -179.46 -32.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 43.8 t -69.25 133.84 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 111.239 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.05 116.68 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.3 -171.41 12.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.54 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -108.74 124.56 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.863 HD12 ' CB ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -101.0 129.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.07 121.86 19.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.604 HG23 ' CD1' ' A' ' 42' ' ' LEU . 27.7 mt -89.19 135.17 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -112.95 111.34 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.34 29.91 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -85.71 -34.48 21.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.0 p -98.58 148.03 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.467 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -49.58 -65.35 0.86 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.712 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 22' ' ' VAL . 18.2 Cg_endo -59.1 -18.22 42.57 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.563 2.176 . . . . 0.0 112.605 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.68 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 60.97 156.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.04 141.36 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.854 HD21 HG12 ' A' ' 16' ' ' ILE . 6.5 tt -106.54 118.55 36.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.666 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.85 120.32 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.44 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 35.8 t90 -113.73 109.86 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HG2' HG12 ' A' ' 37' ' ' VAL . 30.5 mtp180 -100.15 144.64 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -75.51 142.22 42.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 m -69.03 -40.61 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.32 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.09 -171.7 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -130.71 71.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.72 125.73 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.649 HG12 ' HG2' ' A' ' 30' ' ' ARG . 33.3 m -108.69 149.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.213 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -127.64 110.59 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.42 118.81 27.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.6 p -125.69 109.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -59.81 123.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.605 HD22 HD21 ' A' ' 104' ' ' LEU . 96.0 mt -80.38 -27.2 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -32.49 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -63.44 -29.88 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -60.9 152.64 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -121.43 -46.2 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -130.01 157.57 41.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.774 HD11 HD12 ' A' ' 108' ' ' ILE . 4.5 mp -108.34 139.48 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.784 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -140.86 141.97 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.808 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -157.05 166.91 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.548 HG22 HG12 ' B' ' 461' ' ' ILE . 19.0 p -70.35 149.45 95.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.44 156.72 60.96 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 112.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.34 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -66.38 -31.79 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.5 t -73.87 125.18 27.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.55 -31.09 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.587 ' HB3' HD11 ' B' ' 461' ' ' ILE . 0.7 OUTLIER -77.68 117.06 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mtm -106.25 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.4 mtm -151.55 147.92 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.808 HD12 ' HB2' ' A' ' 50' ' ' ALA . 7.8 tp -112.32 132.61 54.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -135.36 124.41 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -102.9 142.53 33.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mm -102.24 130.49 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.48 165.08 49.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 mttp . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.859 0.362 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -148.28 93.9 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -101.8 129.37 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.432 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 0.2 OUTLIER -112.18 149.91 31.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.462 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 98.0 m-85 -128.72 152.22 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.95 138.53 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -134.39 159.47 40.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -134.39 34.29 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.1 m120 -162.92 113.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -64.4 -31.78 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.7 82.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.7 t -77.15 -33.12 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.43 -35.53 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.93 -41.49 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -60.55 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.87 -54.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HB2' HD11 ' A' ' 60' ' ' LEU . 13.0 ttmt -60.24 -32.32 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.5 ttm -75.35 -43.79 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -61.98 -47.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.606 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 mp -59.61 -44.49 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' HD22 ' A' ' 48' ' ' LEU . 48.7 mt-30 -58.5 -30.1 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.89 52.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.02 -41.97 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.774 HD12 HD11 ' A' ' 48' ' ' LEU . 13.3 mt -71.28 -43.13 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 m -63.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.12 -31.46 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -98.75 10.96 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mttm . . . . . 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.828 0.347 . . . . 0.0 111.041 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.07 -27.96 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.34 -1.17 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.514 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 57' ' ' LYS . 12.6 tt -99.56 -39.9 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.1 m-85 -88.16 -31.99 18.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -164.62 166.02 20.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.75 161.75 23.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.474 ' H ' HG11 ' A' ' 96' ' ' VAL . . . -59.81 138.49 57.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.82 127.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.9 mp -102.09 124.13 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 12.6 t80 -127.54 131.46 50.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.34 37.03 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 62.54 36.39 13.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 8' ' ' ILE . 44.3 t -132.84 134.07 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.488 ' O ' HG22 ' A' ' 32' ' ' THR . 0.7 OUTLIER -82.19 127.61 33.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.22 170.81 37.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 mm -105.56 135.46 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.105 HD11 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.06 140.48 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.025 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.93 122.41 18.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mt -89.19 134.52 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -100.96 113.71 26.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -101.45 27.73 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.39 -37.88 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.856 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.5 p -88.33 146.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.6 m -49.27 -66.75 0.53 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.79 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.856 ' HD2' HG22 ' A' ' 22' ' ' VAL . 20.4 Cg_endo -60.66 -16.23 41.99 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.473 2.115 . . . . 0.0 112.785 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.586 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 60.55 160.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.92 162.53 39.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.105 HD21 HD11 ' A' ' 16' ' ' ILE . 5.9 tt -119.39 116.94 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -97.79 145.86 25.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.723 ' O ' HG23 ' A' ' 37' ' ' VAL . 53.7 t90 -136.3 110.18 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -108.79 136.35 48.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 p -59.69 143.81 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 13' ' ' SER . 11.9 t -60.36 -46.36 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 32' ' ' THR . 18.7 p-10 -125.5 -43.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.6 -169.82 0.17 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -122.54 30.32 6.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.3 118.7 37.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.6 p -133.71 139.16 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -133.47 150.6 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.39 145.45 48.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.2 p -142.1 121.76 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.881 ' O ' HG22 ' A' ' 44' ' ' THR . 24.6 t -74.37 109.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.968 HD22 HD21 ' A' ' 104' ' ' LEU . 34.1 mt -63.58 -22.71 67.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.7 -45.57 74.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.881 HG22 ' O ' ' A' ' 41' ' ' VAL . 11.2 t -61.03 -29.17 69.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.93 153.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' O ' HG21 ' A' ' 108' ' ' ILE . 9.3 t0 -124.83 -48.13 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.07 159.62 36.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.824 HD13 ' HG3' ' A' ' 101' ' ' LYS . 3.4 pp -132.72 152.9 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.4 135.73 19.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -122.9 159.36 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -76.85 160.38 76.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.83 139.15 39.29 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.51 2.14 . . . . 0.0 112.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.51 -29.38 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -66.4 -31.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -68.21 165.69 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -92.47 -45.44 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -73.47 86.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.3 mtm -79.23 114.83 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.491 ' HE3' ' CZ ' ' B' ' 462' ' ' PHE . 47.8 mtm -151.51 165.68 33.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 49' ' ' GLN . 64.5 tp -123.62 156.61 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.6 OUTLIER -144.14 125.61 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.629 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -111.55 123.51 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.555 HG23 ' HG2' ' A' ' 86' ' ' ARG . 24.6 mm -86.74 134.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.62 -164.53 9.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HG2' HG23 ' A' ' 63' ' ' ILE . 17.0 mtt180 -152.73 105.11 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -106.69 151.86 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.444 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -136.36 149.87 48.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 84.3 m-85 -127.95 143.74 51.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.829 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.71 149.4 26.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CE2' HG13 ' A' ' 100' ' ' ILE . 27.0 m-85 -138.57 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -138.29 32.89 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.97 148.2 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -82.41 -52.38 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.3 m -59.75 -48.19 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.474 HG11 ' H ' ' A' ' 6' ' ' ALA . 21.8 t -59.57 -58.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.409 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 10.6 tmm? -59.82 -31.14 69.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.77 -46.56 78.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -57.56 -30.9 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.432 HG13 ' CE2' ' A' ' 91' ' ' PHE . 33.3 mm -64.93 -51.65 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.824 ' HG3' HD13 ' A' ' 48' ' ' LEU . 11.4 ttpp -56.61 -42.87 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -42.9 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.5 m -67.17 -23.61 65.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.968 HD21 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -83.45 -48.15 10.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.137 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.75 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 pp0? -56.19 -28.7 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.143 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -71.93 -31.14 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 111' ' ' TYR . 22.4 mt -77.77 -34.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.425 HG21 ' O ' ' A' ' 46' ' ' ASP . 39.5 mt -72.53 -51.44 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -60.49 -31.36 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -31.64 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.52 ' CE2' HG22 ' A' ' 107' ' ' ILE . 3.9 m-85 -104.79 8.94 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.372 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt . . . . . 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.449 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.798 0.333 . . . . 0.0 110.94 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -28.78 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -85.7 -40.93 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.449 HG22 ' HA ' ' B' ' 458' ' ' TRP . 10.9 tt -59.19 -30.46 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.491 ' CZ ' ' HE3' ' A' ' 59' ' ' MET . 22.1 m-85 -95.95 -29.3 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.854 0.359 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -162.29 142.8 10.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.51 146.3 11.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -61.82 108.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.02 129.57 50.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' VAL . 4.1 mp -99.36 102.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.93 140.09 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mt-10 62.03 32.56 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt 62.94 30.49 16.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 8' ' ' ILE . 39.5 t -126.81 136.53 60.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -73.98 121.09 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.405 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -159.88 170.86 36.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -108.87 138.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.978 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.04 143.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.72 121.87 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.0 mt -93.05 134.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -110.73 120.68 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.23 29.69 4.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.12 -31.68 30.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.765 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.926 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.0 p -107.35 148.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.18 -65.11 0.83 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.491 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD2' HG22 ' A' ' 22' ' ' VAL . 17.9 Cg_endo -59.2 -17.45 39.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.503 2.135 . . . . 0.0 112.582 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.677 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.69 171.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.027 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -160.15 148.16 16.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.978 HD21 HD11 ' A' ' 16' ' ' ILE . 7.0 tt -112.36 118.02 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.615 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -97.79 146.61 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.726 ' O ' HG23 ' A' ' 37' ' ' VAL . 55.0 t90 -140.82 108.68 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -109.32 135.64 50.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 143.35 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.506 ' H ' ' HG1' ' A' ' 32' ' ' THR . 2.2 p -58.98 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.0 31.13 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.39 -160.93 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -132.9 31.09 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.05 118.81 32.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.9 p -131.83 129.39 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -121.41 150.62 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -126.29 127.92 46.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.0 p -132.68 114.6 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.656 ' CG1' HG23 ' A' ' 44' ' ' THR . 11.7 p -58.09 130.15 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.869 HD22 HD11 ' A' ' 104' ' ' LEU . 21.4 mt -72.62 -23.08 60.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.654 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -58.23 -41.24 83.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.128 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.656 HG23 ' CG1' ' A' ' 41' ' ' VAL . 19.7 p -55.22 -24.12 25.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.214 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 42' ' ' LEU . 2.9 mp -82.43 129.6 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -107.4 -34.14 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -130.1 154.42 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.553 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 104' ' ' LEU . 4.8 mt -109.82 152.92 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 155.2 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -153.7 167.2 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.5 HG22 HG12 ' B' ' 461' ' ' ILE . 71.9 p -86.05 153.14 56.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.35 155.96 65.76 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.529 2.152 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.83 -30.06 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -66.43 -30.84 71.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -59.42 133.42 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.57 -31.62 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' CG ' HD11 ' B' ' 461' ' ' ILE . 0.0 OUTLIER -102.16 117.73 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.2 ttp -94.06 113.41 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.3 mtm -151.49 157.51 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -124.41 154.9 39.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.76 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.502 ' NE ' HD11 ' A' ' 63' ' ' ILE . 3.0 ptt180 -145.82 152.12 39.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.106 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -115.56 142.54 46.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 86' ' ' ARG . 21.8 mm -102.6 119.33 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.04 -172.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 179.942 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.784 0.326 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.7 mtt180 -132.65 111.92 11.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -101.81 131.98 47.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.45 ' HE3' ' HE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -124.29 149.99 45.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 60' ' ' LEU . 7.0 p90 -145.37 146.52 31.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.434 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -84.02 161.38 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.408 ' CE1' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -154.89 157.84 38.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.778 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -131.44 34.33 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.563 ' HB3' HG23 ' A' ' 96' ' ' VAL . 7.9 m120 -150.01 110.74 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -39.55 90.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -71.75 -40.07 69.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.563 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.2 t -74.65 -32.44 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.43 -33.93 71.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -85.4 -30.41 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 102' ' ' MET . 3.4 m120 -60.11 -29.41 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.07 -50.78 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.55 ' HD3' HD21 ' A' ' 60' ' ' LEU . 10.5 ttpp -64.91 -44.48 89.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.41 ' HG2' ' HA ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -60.55 -31.67 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.759 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.6 m -82.82 -32.94 27.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -73.57 -39.29 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.869 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.25 -30.3 68.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.15 -35.99 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 104' ' ' LEU . 25.3 mt -71.02 -37.97 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.762 HG22 ' HG3' ' A' ' 112' ' ' LYS . 19.6 mt -74.82 -44.83 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.3 t -59.51 -40.05 85.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.44 -45.23 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 3.2 m-85 -90.48 8.85 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.362 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 108' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.416 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.731 0.3 . . . . 0.0 111.039 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.68 -28.79 33.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -87.28 -38.39 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.5 HG12 HG22 ' A' ' 51' ' ' THR . 11.1 tt -58.11 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.451 ' CE1' HG23 ' A' ' 51' ' ' THR . 26.6 m-85 -93.59 -31.11 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 m80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.768 0.318 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.5 p -176.28 161.5 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.687 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -168.21 150.46 16.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 106.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -121.89 131.2 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 12' ' ' VAL . 23.2 mt -111.21 103.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 8.5 t80 -107.12 139.88 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 61.96 32.06 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt 62.24 37.35 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 8' ' ' ILE . 60.3 t -127.49 129.08 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.033 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 32' ' ' THR . 38.7 m -74.02 116.85 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.13 171.07 35.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.6 mm -106.67 139.45 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.008 HD11 HD21 ' A' ' 27' ' ' LEU . 1.1 tt -101.05 144.45 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.73 114.45 11.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.498 HG23 HD11 ' A' ' 42' ' ' LEU . 26.5 mt -89.38 134.91 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.13 108.38 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.83 25.97 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.8 -30.07 13.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.733 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.923 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.95 147.51 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -43.78 -68.75 0.26 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.952 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' A' ' 22' ' ' VAL . 52.1 Cg_endo -68.45 81.05 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.189 1.926 . . . . 0.0 111.494 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -42.66 130.39 4.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.706 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' HG21 ' A' ' 39' ' ' THR . 7.9 tt0 -121.69 147.67 45.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.008 HD21 HD11 ' A' ' 16' ' ' ILE . 6.8 tt -114.1 120.55 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.681 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.8 m -103.52 150.17 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 37' ' ' VAL . 48.9 t90 -142.51 119.56 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 142.3 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 p -59.05 143.92 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 13' ' ' SER . 9.4 t -58.63 -43.44 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -154.08 31.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -106.36 -134.16 7.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.26 31.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.68 119.0 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.0 p -131.71 123.81 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.7 t60 -123.7 146.6 48.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.465 HG21 ' OE1' ' A' ' 26' ' ' GLU . 5.9 m -124.37 137.03 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 27' ' ' LEU . 15.6 m -130.62 134.62 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.84 ' O ' HG22 ' A' ' 44' ' ' THR . 11.1 p -73.87 135.56 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.983 HD22 HD21 ' A' ' 104' ' ' LEU . 55.7 mt -80.62 -27.46 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -56.9 -28.3 61.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.103 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.84 HG22 ' O ' ' A' ' 41' ' ' VAL . 15.3 t -73.7 -28.65 61.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.857 HD12 ' HB3' ' A' ' 62' ' ' LEU . 43.2 mm -57.51 150.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.91 -49.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 48' ' ' LEU . 2.2 tptt -129.97 140.28 50.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -108.33 124.62 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -123.76 157.37 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -154.36 167.22 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.416 HG21 ' O ' ' A' ' 57' ' ' LYS . 8.4 p -82.71 154.62 68.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.29 161.54 44.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.517 2.145 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.22 -28.06 47.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -66.32 -31.31 72.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -78.08 156.68 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -98.44 28.86 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' HD2' ' CH2' ' B' ' 458' ' ' TRP . 13.1 mtmt -130.4 79.16 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -71.7 113.26 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -150.11 165.7 32.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -144.15 134.57 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -125.31 152.16 45.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.81 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.857 ' HB3' HD12 ' A' ' 45' ' ' ILE . 12.3 mt -114.97 142.62 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.48 99.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.8 169.15 12.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -151.1 95.02 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -108.46 116.54 32.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.46 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.2 ppp? -99.19 135.09 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 94.8 m-85 -119.89 145.43 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.83 143.77 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -128.02 170.91 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -143.04 30.75 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.409 ' HB3' HG23 ' A' ' 96' ' ' VAL . 25.8 m-20 -166.78 141.7 4.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -49.7 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 m -59.96 -33.05 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.2 t -79.98 -41.07 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.495 ' CG ' HD13 ' A' ' 60' ' ' LEU . 27.0 ttp -61.38 -30.61 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.17 -38.69 60.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.33 -41.55 97.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.722 HG22 HD12 ' A' ' 104' ' ' LEU . 32.0 mm -69.0 -53.39 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 60' ' ' LEU . 2.2 ttmt -57.48 -48.59 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.028 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 ttp -60.19 -44.49 95.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.0 m -70.17 -27.26 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.983 HD21 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.34 -29.97 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.6 ' HG3' HD13 ' A' ' 48' ' ' LEU . 9.5 mt-30 -77.32 -29.73 53.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.43 -29.91 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.549 HD13 HD12 ' A' ' 42' ' ' LEU . 19.1 mt -76.42 -32.11 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.873 HD12 HD12 ' A' ' 48' ' ' LEU . 32.8 mt -82.37 -31.11 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 -30.88 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.45 ' NE ' ' CE1' ' A' ' 111' ' ' TYR . 4.7 ptm180 -68.24 -27.35 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.45 ' CE1' ' NE ' ' A' ' 110' ' ' ARG . 28.5 m-85 -100.02 11.2 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . 0.793 ' HE2' HG22 ' A' ' 108' ' ' ILE . 35.4 mttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.455 ' HA ' HD13 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.1 0 CA-C-O 120.686 0.279 . . . . 0.0 111.218 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -90.01 -20.15 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.198 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.64 -26.36 14.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.311 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.57 HD11 ' CE1' ' B' ' 462' ' ' PHE . 20.5 pt -54.29 -27.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.381 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' B' ' 461' ' ' ILE . 84.8 m-85 -89.18 -33.24 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 m80 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.867 0.365 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -171.15 157.67 5.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.1 157.77 30.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -61.81 116.35 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -139.72 131.18 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.007 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.5 mp -94.41 136.78 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.458 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 4.5 t80 -127.82 103.28 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.432 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 65.45 71.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.469 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG3' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER 42.47 31.67 0.3 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.738 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 10' ' ' GLU . 85.8 t -125.44 122.17 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.897 ' O ' HG22 ' A' ' 32' ' ' THR . 1.7 m -80.1 119.09 22.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.1 169.98 32.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 mm -106.0 134.93 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.971 HD11 HD21 ' A' ' 27' ' ' LEU . 1.6 tt -100.97 146.88 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.78 120.3 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 42' ' ' LEU . 28.8 mt -95.88 134.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -100.59 115.21 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.88 29.1 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -94.28 -31.46 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.91 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.57 148.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -49.83 -65.41 0.86 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.624 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.91 ' HD2' HG22 ' A' ' 22' ' ' VAL . 17.9 Cg_endo -59.5 -16.92 38.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.717 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.668 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 61.98 165.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -151.1 143.42 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.971 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -117.05 110.08 17.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.463 HG21 ' NH1' ' A' ' 30' ' ' ARG . 3.8 m -97.79 149.66 22.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.534 ' O ' HG23 ' A' ' 37' ' ' VAL . 69.8 t90 -136.94 107.95 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.463 ' NH1' HG21 ' A' ' 28' ' ' THR . 4.8 mtp85 -106.48 130.88 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 147.83 31.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 13' ' ' SER . 10.0 t -83.32 -30.8 27.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -150.47 78.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.63 -127.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -166.85 36.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.37 125.78 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.4 p -140.38 142.69 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -142.92 146.87 34.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -127.87 134.85 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.97 145.96 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 25' ' ' ALA . 14.0 t -78.34 130.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 18' ' ' ILE . 19.5 mt -79.79 -28.56 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 t -59.46 -29.37 67.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -69.75 -23.29 63.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.91 HD12 HD23 ' A' ' 62' ' ' LEU . 47.2 mm -56.13 150.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 38.6 t0 -119.35 -48.99 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -130.02 158.75 38.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.763 HD22 ' HG3' ' A' ' 105' ' ' GLN . 1.3 mp -124.57 137.33 54.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.765 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.16 156.91 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -156.98 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.6 p -59.8 154.02 49.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 160.68 48.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.574 2.182 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.5 m -66.47 -31.42 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -64.51 138.26 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.67 -39.0 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.61 98.74 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -76.61 126.22 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.2 mtm -147.76 141.51 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -110.62 124.42 51.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -126.01 128.33 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.91 HD23 HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -124.73 143.27 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.966 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 63' ' ' ILE . 2.3 mp -110.02 140.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.825 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.28 -178.49 49.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.635 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.856 0.36 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -117.31 109.04 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -101.75 127.84 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.449 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.8 ptm -120.26 120.2 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 46.1 m-85 -111.51 129.7 55.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.07 158.09 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 49.9 m-85 -149.36 170.92 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -131.9 33.97 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.42 ' HB3' HG23 ' A' ' 96' ' ' VAL . 13.9 t-20 -171.55 143.45 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -82.7 -42.74 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.42 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.5 t -78.13 -45.16 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.44 ' HG2' ' CG ' ' A' ' 91' ' ' PHE . 1.1 mtm -59.55 -31.32 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.84 -38.77 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -67.32 -31.11 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.618 HG22 HD13 ' A' ' 104' ' ' LEU . 31.8 mm -76.11 -50.92 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.491 ' HB2' HD11 ' A' ' 60' ' ' LEU . 13.2 ttmt -60.18 -45.14 94.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . 0.409 ' HB3' ' HE2' ' A' ' 102' ' ' MET . 19.2 ptp -59.76 -31.36 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.43 ' CG2' HD12 ' A' ' 18' ' ' ILE . 71.4 m -81.81 -28.54 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.631 ' CB ' HD21 ' A' ' 48' ' ' LEU . 1.6 mp -80.48 -27.67 37.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.084 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.763 ' HG3' HD22 ' A' ' 48' ' ' LEU . 29.0 mt-30 -83.27 -39.65 20.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -58.74 -41.26 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.447 HD12 HD13 ' A' ' 42' ' ' LEU . 22.5 mt -62.79 -37.58 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.098 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.2 mt -74.45 -52.11 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 m -58.26 -31.41 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -71.85 -31.06 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 23' ' ' SER . 14.0 m-85 -107.32 10.02 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.327 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mttt . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.504 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.798 0.332 . . . . 0.0 111.031 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.66 -19.66 44.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.377 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -99.68 -27.85 13.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.742 0.306 . . . . 0.0 111.245 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' B' ' 458' ' ' TRP . 11.4 tt -70.47 -29.57 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.398 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.4 m-85 -99.49 -57.97 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.935 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.5 m80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.886 0.374 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -175.6 146.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.5 166.72 39.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 136.76 58.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.77 123.29 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -98.2 112.97 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -114.88 136.2 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.6 mt-10 61.71 35.75 16.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.34 31.3 17.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 8' ' ' ILE . 32.3 t -129.7 139.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.66 128.59 33.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.1 166.84 37.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.55 137.16 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.046 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.06 151.12 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.083 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.77 126.27 17.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.94 134.71 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -116.05 115.29 25.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -100.66 30.58 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -82.78 -35.8 26.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.784 HG22 ' HD2' ' A' ' 24' ' ' PRO . 7.4 p -106.64 151.81 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.523 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.96 -58.57 9.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -179.245 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.784 ' HD2' HG22 ' A' ' 22' ' ' VAL . 21.5 Cg_exo -65.21 -13.13 38.13 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.343 2.029 . . . . 0.0 112.625 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.607 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 64.8 173.9 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.733 0.301 . . . . 0.0 110.782 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -157.72 131.98 8.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.212 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.046 HD21 HD11 ' A' ' 16' ' ' ILE . 6.9 tt -111.46 111.91 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.403 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.77 140.15 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.811 ' O ' HG23 ' A' ' 37' ' ' VAL . 58.3 t90 -130.47 107.47 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.653 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.34 131.54 54.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.98 143.23 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.7 m -63.19 -46.22 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -149.66 77.98 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.54 -118.3 0.44 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.81 36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -126.28 124.25 39.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.2 p -148.73 137.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 39' ' ' THR . 31.0 t60 -142.75 150.63 40.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.438 HG21 ' HG2' ' A' ' 26' ' ' GLU . 17.6 m -113.35 146.2 39.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 40' ' ' VAL . 11.1 p -142.15 115.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.815 HG12 ' H ' ' A' ' 43' ' ' SER . 22.2 t -59.72 127.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 45' ' ' ILE . 21.6 mt -80.56 -0.16 36.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.637 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.815 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -77.8 -43.34 30.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.741 0.305 . . . . 0.0 111.125 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.741 HG23 HD12 ' A' ' 45' ' ' ILE . 1.4 t -55.35 -29.27 58.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.148 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.741 HD12 HG23 ' A' ' 44' ' ' THR . 4.2 mp -72.06 123.17 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.19 -28.31 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -130.02 157.1 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 1.008 HD11 HD12 ' A' ' 108' ' ' ILE . 5.1 mp -118.61 149.04 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -147.29 121.7 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -131.18 161.89 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.655 HG22 ' HD2' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -98.37 142.4 24.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.783 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 51' ' ' THR . 53.8 Cg_endo -69.7 148.91 66.52 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.468 2.112 . . . . 0.0 112.314 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -26.9 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -28.75 68.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.6 157.33 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -42.87 95.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -126.51 134.29 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -95.94 123.1 39.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.0 mtm -150.78 148.72 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 55.5 tp -111.22 141.18 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.475 ' O ' HD13 ' A' ' 62' ' ' LEU . 5.3 ttm180 -138.3 142.73 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.649 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -118.96 142.51 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.512 HD12 ' HG2' ' A' ' 86' ' ' ARG . 23.9 mm -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.95 -174.48 3.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mttt . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.512 ' HG2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -98.32 96.57 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -109.71 137.09 48.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.44 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -123.68 149.98 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -128.76 143.11 50.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.795 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.72 146.18 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -139.19 170.92 15.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -143.7 33.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.537 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.5 m120 -158.86 113.77 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -61.73 -35.02 76.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -74.13 -40.9 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 93' ' ' ASN . 23.2 t -74.91 -38.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 18.8 ttp -60.59 -31.26 70.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.63 -31.24 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.15 -43.36 95.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.599 HG22 HD13 ' A' ' 104' ' ' LEU . 30.5 mm -67.87 -55.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -60.26 -31.47 70.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.7 ttm -76.64 -43.89 36.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.401 HG22 HD11 ' A' ' 107' ' ' ILE . 88.9 m -66.07 -42.94 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.807 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 mp -58.85 -41.55 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.684 ' HG2' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -58.98 -30.38 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -35.03 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 104' ' ' LEU . 16.8 mt -70.89 -40.77 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.008 HD12 HD11 ' A' ' 48' ' ' LEU . 21.7 mt -74.74 -31.17 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 t -79.94 -31.05 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -65.15 -31.11 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 107' ' ' ILE . 4.5 m-85 -95.41 9.08 41.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.403 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.421 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.741 0.305 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.63 -29.11 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -86.93 -39.27 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' B' ' 458' ' ' TRP . 11.5 tt -58.4 -31.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' A' ' 88' ' ' MET . 23.2 m-85 -95.74 -43.39 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.684 ' CG ' HG21 ' A' ' 103' ' ' THR . 97.4 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.07 155.86 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.96 144.69 9.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.646 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.11 99.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.75 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -115.94 138.0 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.011 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.0 mp -102.22 121.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.196 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 7.4 t80 -124.83 134.64 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 62.22 33.62 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.18 30.72 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 8' ' ' ILE . 48.2 t -125.05 132.05 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.7 m -81.53 108.07 14.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.61 172.48 24.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -107.11 134.95 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.03 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.09 140.52 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -132.87 123.27 25.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 42' ' ' LEU . 30.6 mt -95.85 135.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -118.46 121.61 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -102.46 27.52 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -83.3 -40.13 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' A' ' 24' ' ' PRO . 14.4 p -87.44 146.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.16 -66.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.541 -179.42 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' A' ' 22' ' ' VAL . 34.4 Cg_endo -63.98 -8.72 16.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.623 2.215 . . . . 0.0 113.036 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.564 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.28 164.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.744 0.307 . . . . 0.0 111.009 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -154.96 154.19 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.03 HD21 HD11 ' A' ' 16' ' ' ILE . 6.2 tt -123.13 115.62 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.503 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -97.85 150.68 21.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 37' ' ' VAL . 83.3 t90 -139.74 109.74 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 p -60.0 142.77 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 m -72.32 -69.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.89 30.86 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -133.65 -153.57 7.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.79 25.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -102.03 130.03 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' TRP . 14.5 p -148.79 141.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.22 150.61 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.12 141.18 44.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.4 p -141.89 124.45 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 44' ' ' THR . 6.7 t -62.71 129.29 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.966 HD22 HD21 ' A' ' 104' ' ' LEU . 40.8 mt -80.62 -0.83 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.607 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.71 ' H ' HG12 ' A' ' 41' ' ' VAL . 10.8 p -78.3 -31.0 48.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 41' ' ' VAL . 2.2 t -60.33 -34.4 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.572 HD12 ' H ' ' A' ' 45' ' ' ILE . 5.0 mp -65.56 118.12 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.39 -24.64 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 171.39 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 62' ' ' LEU . 27.3 mt -143.52 112.89 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.803 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.88 136.69 54.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.781 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -146.28 167.22 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.752 HG22 ' O ' ' B' ' 461' ' ' ILE . 11.7 p -87.1 154.64 54.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.421 ' HD2' ' HB ' ' A' ' 51' ' ' THR . 36.9 Cg_endo -65.72 153.55 77.67 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.574 2.182 . . . . 0.0 112.263 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.17 67.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -66.31 -30.48 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -76.67 129.08 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.69 -31.75 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.73 79.38 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -83.74 113.38 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.438 ' HE1' HD13 ' B' ' 461' ' ' ILE . 2.8 mpp? -145.22 150.97 37.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.781 HD23 ' HB2' ' A' ' 50' ' ' ALA . 1.2 mt -110.75 143.66 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HD2' ' CG ' ' B' ' 462' ' ' PHE . 14.4 ttt180 -128.58 111.88 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -83.08 141.48 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.124 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 86' ' ' ARG . 6.5 mm -113.26 106.17 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.983 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.23 -167.34 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.8 mttm . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.795 0.331 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 29.1 mtt180 -144.22 104.17 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -106.98 147.47 29.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.448 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 2.7 ppp? -129.96 150.05 51.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 3.9 m-85 -133.45 146.14 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.519 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -82.03 146.57 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.75 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 10.2 m-85 -152.37 141.55 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -111.54 -38.09 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.429 ' OD1' HG23 ' A' ' 96' ' ' VAL . 1.8 t-20 -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.6 m -60.53 -40.82 92.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.429 HG23 ' OD1' ' A' ' 93' ' ' ASN . 21.4 t -77.95 -42.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . 0.57 ' HG2' HD12 ' A' ' 60' ' ' LEU . 3.8 ttp -60.54 -35.56 76.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.27 -31.32 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -68.89 -26.9 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.849 HG22 HD12 ' A' ' 104' ' ' LEU . 31.9 mm -73.23 -51.73 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.791 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.52 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.1 ttmm -63.99 -47.94 78.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.684 HG21 ' CG ' ' A' ' 3' ' ' HIS . 92.0 m -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.966 HD21 HD22 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -78.16 -30.14 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.822 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.13 -30.71 66.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -73.53 -28.26 61.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 104' ' ' LEU . 12.9 mt -73.52 -27.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.2 mt -82.65 -28.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -78.6 -32.0 47.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.434 ' CD ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 ptm180 -65.22 -28.32 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.066 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.561 ' CE2' HG22 ' A' ' 107' ' ' ILE . 11.1 m-85 -89.76 9.57 26.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm . . . . . 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.593 ' CE3' HD12 ' B' ' 461' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.87 0.367 . . . . 0.0 110.965 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.52 -33.37 75.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . 0.409 ' HA ' ' HG2' ' B' ' 463' ' ' GLU . 80.0 t80 -79.63 -2.98 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 51' ' ' THR . 50.0 mt -100.07 -28.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.711 0.291 . . . . 0.0 111.345 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.8 m-85 -109.72 12.04 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.75 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 460' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.223 0 CA-C-O 120.612 0.244 . . . . 0.0 111.37 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.83 0.347 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -175.27 155.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.79 163.05 35.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.89 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.84 126.13 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -103.5 132.64 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -132.3 126.2 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 59.3 44.22 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.77 34.47 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 8' ' ' ILE . 53.8 t -124.74 130.51 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.035 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -84.39 109.67 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.12 167.49 27.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -105.59 138.41 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.984 HD11 HD21 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.02 145.38 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 114.73 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.414 HG23 HD11 ' A' ' 42' ' ' LEU . 27.3 mt -89.22 134.24 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -116.89 97.56 6.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -97.48 34.16 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -102.41 -35.22 8.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.665 HG11 ' OE2' ' A' ' 26' ' ' GLU . 2.0 p -55.67 -60.01 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.588 ' H ' HG13 ' A' ' 22' ' ' VAL . 1.1 t 166.71 -68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.344 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 89.2 Cg_endo -76.42 -10.4 18.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.362 2.041 . . . . 0.0 112.1 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . 66.79 121.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.665 ' OE2' HG11 ' A' ' 22' ' ' VAL . 3.7 mt-10 -121.73 159.62 26.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.984 HD21 HD11 ' A' ' 16' ' ' ILE . 6.8 tt -114.95 117.64 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -104.64 143.92 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.779 ' O ' HG23 ' A' ' 37' ' ' VAL . 70.2 t90 -134.07 119.73 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.751 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.73 136.76 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -59.09 152.6 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -59.31 -31.95 69.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.6 -42.25 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.25 59.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.21 -54.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 118.81 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.4 p -147.25 137.06 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.411 ' CE1' ' CE3' ' A' ' 29' ' ' TRP . 7.6 p-80 -137.06 150.57 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -117.71 126.59 52.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.34 139.74 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 26' ' ' GLU . 21.4 t -77.96 136.23 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.937 HD22 HD21 ' A' ' 104' ' ' LEU . 57.9 mt -80.51 -28.87 37.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.499 ' H ' HG12 ' A' ' 41' ' ' VAL . 6.7 t -56.55 -29.83 62.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -65.63 -30.29 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 46' ' ' ASP . 33.0 mm -64.34 154.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' HG22 ' A' ' 45' ' ' ILE . 18.3 t0 -122.39 -47.52 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -130.08 161.09 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.781 HD13 ' HG2' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -124.3 127.01 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -137.04 146.1 44.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -151.16 167.19 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.653 HG22 HG12 ' B' ' 461' ' ' ILE . 27.7 p -72.51 153.95 91.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 165.49 30.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.64 64.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -66.33 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 131.32 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.22 -56.36 22.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.0 118.61 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -94.93 113.37 25.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 mtm -150.31 165.73 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.743 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 5.7 tt -135.4 165.42 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.698 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -144.97 129.1 17.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 48' ' ' LEU . 9.0 mt -106.65 133.03 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.487 HD12 ' CG ' ' A' ' 86' ' ' ARG . 21.8 mm -110.62 137.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.99 -178.82 34.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mttm . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.769 0.319 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -124.13 116.6 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -105.84 145.8 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.4 ptm -116.73 149.57 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -141.35 149.44 41.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.69 146.64 30.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -141.24 141.81 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -106.73 32.32 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.581 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.4 m120 -170.44 111.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -60.92 -31.63 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.6 m -65.79 -34.0 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' ' 93' ' ' ASN . 28.9 t -78.02 -40.96 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 ttp -59.92 -31.48 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.11 -31.86 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.5 -39.6 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.8 mm -72.95 -54.83 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.77 -46.85 83.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.69 -43.96 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.6 m -69.56 -37.4 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.937 HD21 HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.35 -42.11 75.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.781 ' HG2' HD13 ' A' ' 48' ' ' LEU . 9.6 mm-40 -57.09 -29.72 63.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.042 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -73.84 -30.63 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 25' ' ' ALA . 23.6 mt -78.91 -32.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.671 HD12 HD12 ' A' ' 48' ' ' LEU . 36.8 mt -82.61 -31.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -76.61 -40.19 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -30.25 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.78 -11.92 40.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.339 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.785 0.326 . . . . 0.0 110.848 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.87 -35.96 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -41.75 70.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.653 HG12 HG22 ' A' ' 51' ' ' THR . 11.4 tt -58.62 -28.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 30.7 m-85 -101.2 -30.92 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.954 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.809 0.338 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 p -172.09 162.44 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.1 144.07 8.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.581 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -63.31 104.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -120.85 141.51 50.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.5 mp -107.54 129.01 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.133 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.487 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 3.1 t80 -133.55 130.66 38.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.779 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 64.01 36.47 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.45 35.07 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 8' ' ' ILE . 59.9 t -132.57 130.25 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.015 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 32' ' ' THR . 11.4 m -82.44 126.71 32.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.749 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.37 173.44 34.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.615 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.2 mm -105.56 132.19 53.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.789 HG12 HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -101.05 151.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.135 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.74 122.36 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.547 HG23 HD11 ' A' ' 42' ' ' LEU . 15.4 mt -89.17 132.27 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -109.22 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -102.57 27.96 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -89.61 -29.71 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 25' ' ' ALA . 10.5 m -92.02 -178.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.22 -60.61 2.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 60.2 Cg_endo -72.72 -32.05 9.83 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.567 2.178 . . . . 0.0 112.694 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.763 ' H ' HG23 ' A' ' 22' ' ' VAL . . . 62.97 143.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.8 mt-10 -138.6 163.84 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 0.0 111.442 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.867 HD13 HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -112.04 120.2 41.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.624 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.82 131.56 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.571 ' O ' HG23 ' A' ' 37' ' ' VAL . 78.3 t90 -130.8 109.6 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.52 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 m -58.9 142.82 49.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 13' ' ' SER . 15.1 t -59.48 -46.7 88.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.438 ' N ' HG23 ' A' ' 32' ' ' THR . 3.9 m-20 -123.95 -40.26 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.1 -172.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.642 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -120.15 29.33 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -107.96 148.89 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 29' ' ' TRP . 11.5 p -148.68 145.3 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.23 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -126.55 136.84 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.94 111.16 13.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.765 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.61 135.09 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.841 ' O ' HG22 ' A' ' 44' ' ' THR . 23.3 t -74.19 135.77 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.942 HD22 HD21 ' A' ' 104' ' ' LEU . 18.1 mt -80.65 -31.19 36.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.058 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.413 ' H ' HG12 ' A' ' 41' ' ' VAL . 34.5 t -57.46 -30.08 64.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -71.81 -24.24 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.216 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 108' ' ' ILE . 43.9 mm -56.51 151.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.92 -44.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' HD12 ' A' ' 48' ' ' LEU . 16.2 mtmt -130.06 171.35 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.692 HD21 ' HB3' ' A' ' 104' ' ' LEU . 1.7 mp -135.81 123.55 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.721 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.22 159.51 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 1.034 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -156.96 167.29 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 HG12 ' B' ' 461' ' ' ILE . 17.4 p -67.51 154.17 93.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.2 157.93 59.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.562 2.175 . . . . 0.0 112.256 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.45 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -31.56 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -64.91 127.98 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.26 -39.07 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 111.39 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.2 122.29 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.435 ' HE1' ' CZ3' ' B' ' 458' ' ' TRP . 0.5 OUTLIER -142.78 165.75 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.034 HD23 ' HB2' ' A' ' 50' ' ' ALA . 8.2 mt -124.38 146.98 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -135.92 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 2.9 mt -123.92 142.51 51.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.586 HD11 ' HD3' ' A' ' 61' ' ' ARG . 7.8 mm -106.54 140.51 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.2 161.17 22.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttt . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.821 0.343 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.63 129.87 56.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 62' ' ' LEU . 3.3 p80 -124.02 135.79 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.32 47.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.024 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 14.0 m-85 -128.03 153.21 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.509 ' HB3' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -85.21 157.8 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 60' ' ' LEU . 4.9 m-85 -156.23 135.08 11.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -108.96 33.02 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.41 ' HB3' HG23 ' A' ' 96' ' ' VAL . 48.5 m-80 -156.29 133.02 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -31.61 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -72.7 -43.63 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 93' ' ' ASN . 27.9 t -63.14 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.7 mtp -60.26 -35.43 75.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.34 -31.55 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.85 -44.64 54.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.69 -56.58 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.7 ' HG3' HD21 ' A' ' 60' ' ' LEU . 24.3 mtmt -59.18 -49.21 78.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.7 ttm -58.01 -41.1 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -73.09 -28.1 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.942 HD21 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.08 -47.18 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.441 ' HB3' HD22 ' A' ' 48' ' ' LEU . 1.3 pp0? -56.1 -28.82 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -76.0 -43.28 45.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.708 HD13 ' CD1' ' A' ' 42' ' ' LEU . 13.9 mt -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.611 HD12 HD13 ' A' ' 48' ' ' LEU . 44.4 mt -82.62 -30.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -81.34 -30.78 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 4.7 ptm85 -71.94 -35.45 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 110' ' ' ARG . 20.5 m-85 -89.8 -11.95 40.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.549 ' O ' HG22 ' B' ' 461' ' ' ILE . 18.9 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.677 0.275 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.64 -33.05 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.76 -56.06 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 51' ' ' THR . 9.9 tt -58.35 -29.08 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 20.5 m-85 -88.9 -30.51 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.066 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' HIS . . . . . 0.501 ' CG ' HG21 ' A' ' 103' ' ' THR . 2.7 m-70 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.823 0.344 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.8 p -156.41 167.57 30.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.61 142.32 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 130.06 44.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.43 115.43 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -100.0 119.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -102.95 114.03 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.293 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.81 -45.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.463 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -179.19 -32.38 0.01 OUTLIER 'General case' 0 C--O 1.231 0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 8' ' ' ILE . 58.0 t -61.46 125.48 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 111.181 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -88.2 109.42 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.856 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -138.37 169.08 24.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.557 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mm -105.51 131.75 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.919 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -100.98 142.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 124.13 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.432 HG23 HD11 ' A' ' 42' ' ' LEU . 29.0 mt -89.14 134.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.71 119.97 39.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.11 26.86 7.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.54 -32.57 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.912 HG22 ' HD2' ' A' ' 24' ' ' PRO . 14.0 p -99.63 147.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.3 m -49.76 -65.86 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.682 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.912 ' HD2' HG22 ' A' ' 22' ' ' VAL . 22.0 Cg_endo -60.78 -15.4 37.54 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.872 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.654 ' HB2' ' OH ' ' A' ' 111' ' ' TYR . . . 63.61 157.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -149.44 164.22 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.218 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.919 HD21 HD11 ' A' ' 16' ' ' ILE . 5.3 tt -121.04 119.2 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -97.77 134.17 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.735 ' O ' HG23 ' A' ' 37' ' ' VAL . 40.3 t90 -133.19 109.63 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -112.98 135.03 54.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 140.12 57.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' HA2' ' A' ' 14' ' ' GLY . 46.3 p -60.23 -61.96 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -122.45 94.1 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.82 -120.68 0.84 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.17 37.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 118.73 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.1 p -139.6 137.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 39' ' ' THR . 15.2 t60 -134.81 150.57 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.404 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 1.4 m -118.06 141.18 48.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 40' ' ' VAL . 11.4 p -137.83 122.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.799 ' O ' HG22 ' A' ' 44' ' ' THR . 21.7 t -59.67 132.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.632 HD13 HD13 ' A' ' 107' ' ' ILE . 32.1 mt -80.46 -26.62 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.469 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -57.47 -36.59 71.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 41' ' ' VAL . 12.8 t -59.25 -29.41 67.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.552 HD12 HD23 ' A' ' 62' ' ' LEU . 37.3 mm -62.42 153.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 45' ' ' ILE . 15.7 t0 -123.13 -52.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -130.03 156.87 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.72 HD23 ' HG ' ' A' ' 62' ' ' LEU . 7.5 mt -120.05 142.26 49.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.64 160.4 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -154.78 167.26 30.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.543 HG22 HG12 ' B' ' 461' ' ' ILE . 16.0 p -69.75 149.39 96.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.79 165.56 32.18 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.554 2.17 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.49 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -66.38 -29.63 69.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -59.19 129.99 44.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.29 -32.98 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 125.36 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -81.86 125.94 31.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.561 ' HE1' ' CZ2' ' B' ' 458' ' ' TRP . 44.2 mtm -151.5 165.79 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' HG2' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -130.79 142.53 50.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 22.1 ttt180 -125.35 117.48 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -97.57 142.54 29.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.799 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.511 HD12 ' CG ' ' A' ' 86' ' ' ARG . 10.2 mm -117.56 140.54 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.64 -163.01 35.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.951 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.763 0.316 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.511 ' CG ' HD12 ' A' ' 63' ' ' ILE . 3.8 mtt180 -170.22 103.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -116.88 119.42 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . 0.47 ' HE2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -117.73 149.99 39.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -131.19 164.3 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.8 m -99.72 136.3 39.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' PHE . . . . . 0.427 ' CE2' HG13 ' A' ' 100' ' ' ILE . 8.1 m-85 -128.91 137.87 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -107.08 33.67 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASN . . . . . 0.604 ' HB3' HG23 ' A' ' 96' ' ' VAL . 24.1 m-80 -163.15 134.02 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.67 -31.26 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -76.16 -31.77 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 93' ' ' ASN . 22.0 t -76.24 -49.12 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.3 ptm -60.19 -31.48 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -31.56 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -74.77 -25.06 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.827 HG22 HD12 ' A' ' 104' ' ' LEU . 31.6 mm -72.77 -52.0 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.729 ' HG2' HD21 ' A' ' 60' ' ' LEU . 24.6 mtmt -63.59 -48.33 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.3 -35.61 74.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.501 HG21 ' CG ' ' A' ' 3' ' ' HIS . 86.0 m -84.39 -27.83 27.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.827 HD12 HG22 ' A' ' 100' ' ' ILE . 12.7 mt -80.07 -30.01 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.623 ' HG2' HD12 ' A' ' 48' ' ' LEU . 54.1 mt-30 -72.79 -30.67 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 3.2 pt20 -71.37 -28.46 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.9 mt -71.04 -58.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 48' ' ' LEU . 3.8 mt -59.41 -30.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 m -64.14 -25.67 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 32.2 mtp85 -88.08 -27.28 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.166 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.685 ' CE2' HG22 ' A' ' 107' ' ' ILE . 7.2 m-30 -89.8 -11.87 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.486 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 458' ' ' TRP . . . . . 0.561 ' CZ2' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.738 0.304 . . . . 0.0 110.915 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.79 -31.03 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 -42.46 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 461' ' ' ILE . . . . . 0.546 HG22 ' O ' ' B' ' 458' ' ' TRP . 10.1 tt -58.63 -26.73 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.327 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 462' ' ' PHE . . . . . 0.47 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 45.8 m-85 -104.44 -29.63 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.198 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.938 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.488 1.171 0 CA-C-O 120.887 0.286 . . . . 0.0 111.82 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -107.01 123.4 48.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.2 m80 60.43 87.99 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.9 m -161.27 156.48 24.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -165.47 150.87 19.12 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.24 105.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.837 0.351 . . . . 0.0 111.114 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -121.38 126.15 48.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.003 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.726 HG23 ' O ' ' A' ' 12' ' ' VAL . 25.2 mt -104.3 111.24 33.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.163 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 28.8 t80 -109.96 134.99 51.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 tt0 58.12 43.07 21.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.014 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.3 30.06 18.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.117 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.726 ' O ' HG23 ' A' ' 8' ' ' ILE . 72.3 t -118.28 123.54 71.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.65 ' O ' HG22 ' A' ' 32' ' ' THR . 4.2 m -73.27 111.24 8.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.87 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -151.92 172.04 31.28 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.541 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.1 mm -110.4 139.6 33.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.994 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.983 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.16 151.07 5.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.959 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -139.82 117.98 11.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.147 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 26.2 mt -89.5 134.62 28.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -116.03 105.54 12.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -98.63 31.4 2.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -79.19 -31.12 43.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.537 HG13 ' H ' ' A' ' 25' ' ' ALA . 3.5 p -111.81 167.69 5.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 m -53.01 -67.57 0.55 Allowed Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.653 -179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.489 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 41.4 Cg_endo -67.04 -10.42 28.5 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.437 2.092 . . . . 0.0 112.809 -179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.537 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 61.35 -172.31 0.14 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.724 0.297 . . . . 0.0 110.992 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -162.59 131.44 4.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.918 0.39 . . . . 0.0 111.097 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.983 HD21 HD11 ' A' ' 16' ' ' ILE . 6.7 tt -109.07 108.83 19.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.55 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -97.72 143.51 28.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' O ' HG23 ' A' ' 37' ' ' VAL . 46.0 t90 -133.33 113.94 13.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.721 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.2 ptt-85 -114.83 138.92 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.0 p -59.11 146.17 39.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.65 HG22 ' O ' ' A' ' 13' ' ' SER . 9.9 t -59.6 -41.56 90.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -72.61 -58.49 3.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 125.61 90.81 0.82 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -176.9 -40.2 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.785 0.326 . . . . 0.0 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.41 131.64 56.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 29' ' ' TRP . 11.8 p -148.67 136.29 13.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.072 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -129.28 148.93 51.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -127.91 126.56 41.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.1 p -138.87 124.54 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.986 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.665 ' CG1' HG23 ' A' ' 44' ' ' THR . 12.4 p -64.51 140.55 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.095 HD22 HD21 ' A' ' 104' ' ' LEU . 52.7 mt -80.56 -27.89 37.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.598 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.9 OUTLIER -55.28 -33.69 63.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.119 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.665 HG23 ' CG1' ' A' ' 41' ' ' VAL . 12.5 p -61.21 -28.9 69.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.021 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.415 HD12 ' HB3' ' A' ' 62' ' ' LEU . 40.5 mm -61.12 152.65 5.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.034 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -124.77 -44.07 1.97 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.1 tttp -130.0 161.7 30.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.765 HD13 ' HG2' ' A' ' 105' ' ' GLN . 1.4 mt -126.41 133.95 51.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -152.51 141.09 20.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.611 ' CB ' HD12 ' A' ' 60' ' ' LEU . . . -146.99 167.11 24.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.111 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.524 HG22 HG12 ' B' ' 461' ' ' ILE . 19.2 p -73.35 153.93 90.11 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HD2' ' HB ' ' A' ' 51' ' ' THR . 50.8 Cg_endo -69.14 157.54 61.2 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.546 2.164 . . . . 0.0 112.279 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.32 -29.8 70.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.189 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.5 m -66.33 -30.81 71.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.2 t -60.12 125.26 22.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -60.18 -31.11 69.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.51 97.29 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -75.84 115.88 15.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.414 ' CE ' ' CH2' ' B' ' 458' ' ' TRP . 69.0 mtm -151.52 148.73 28.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.959 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 101' ' ' LYS . 0.8 OUTLIER -110.67 161.34 15.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.859 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 0.4 OUTLIER -140.69 139.6 34.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.96 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.795 HD21 HD13 ' A' ' 104' ' ' LEU . 12.2 mt -124.61 132.0 53.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.813 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.533 HG23 ' HG2' ' A' ' 86' ' ' ARG . 19.6 mm -111.21 128.05 67.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.89 174.99 55.23 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.521 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -79.81 148.93 31.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.826 0.346 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 67' ' ' ASP . 21.2 t -86.0 158.91 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.477 ' N ' HG12 ' A' ' 66' ' ' VAL . 3.0 t0 -94.17 88.2 5.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -93.73 46.57 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 7.3 p -128.38 -46.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 13.6 mmtt -104.8 -43.15 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.84 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.665 ' CE ' HG13 ' A' ' 80' ' ' VAL . 0.2 OUTLIER -62.08 153.59 29.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.794 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.99 133.1 37.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.91 54.62 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.784 179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 40.66 -163.12 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.787 179.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -112.15 -31.56 6.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.679 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -148.6 74.32 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.705 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 162.73 -28.0 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.402 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 71.78 99.87 0.07 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.976 0.417 . . . . 0.0 111.347 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.27 58.99 0.63 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.07 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' CE ' ' A' ' 71' ' ' LYS . 10.5 t -67.4 130.75 32.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.057 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.469 ' HB ' ' HD3' ' A' ' 82' ' ' PRO . 2.8 t -88.86 -47.97 0.42 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.442 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.531 ' HD2' HG12 ' A' ' 80' ' ' VAL . 97.2 Cg_endo -90.55 -162.04 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.738 2.292 . . . . 0.0 112.172 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.37 148.79 32.59 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.429 ' HB3' HG22 ' A' ' 66' ' ' VAL . 59.2 Cg_endo -72.2 157.36 54.02 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.533 2.155 . . . . 0.0 112.327 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -81.79 141.54 33.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.533 ' HG2' HG23 ' A' ' 63' ' ' ILE . 8.9 mtt180 -148.73 108.84 4.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -116.13 137.34 52.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.818 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 ppp? -123.04 149.96 43.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 -127.77 140.75 51.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.812 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.45 ' HG ' ' HB ' ' A' ' 8' ' ' ILE . 0.1 OUTLIER -92.49 126.56 37.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.416 ' CD1' ' HG3' ' A' ' 97' ' ' MET . 53.9 m-85 -114.54 170.92 7.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -127.71 31.16 5.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -173.49 133.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -70.88 -31.85 68.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.5 m -67.85 -49.82 60.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -67.06 -48.93 77.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.623 ' HG2' HD13 ' A' ' 60' ' ' LEU . 8.6 ttp -60.19 -31.24 69.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -76.34 -31.11 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -67.51 -30.21 69.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.598 HG22 HD12 ' A' ' 104' ' ' LEU . 31.6 mm -75.22 -52.25 19.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.675 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.4 ttmm -59.42 -46.32 89.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.055 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 13.5 ptp -58.22 -34.92 70.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.851 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.827 HG22 HD11 ' A' ' 107' ' ' ILE . 89.9 m -75.8 -45.6 35.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.095 HD21 HD22 ' A' ' 42' ' ' LEU . 1.0 OUTLIER -58.63 -30.83 67.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.018 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.765 ' HG2' HD13 ' A' ' 48' ' ' LEU . 8.6 mm100 -69.11 -30.64 68.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 48.9 mm-40 -83.3 -34.94 25.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.888 HD12 ' HA ' ' A' ' 104' ' ' LEU . 9.2 mt -64.91 -46.7 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 24.0 mt -76.31 -37.99 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 35.9 t -65.06 -27.93 69.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.078 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 16.9 mtt180 -86.57 -28.45 23.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.153 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CE2' ' O ' ' A' ' 23' ' ' SER . 20.3 m-85 -96.08 -11.84 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.515 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.27 -29.3 17.25 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.759 0.314 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -90.53 -31.68 16.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.74 -49.83 42.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.893 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.803 0.335 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 16.7 mt -132.49 11.61 4.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.31 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.27 -54.28 10.02 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.816 0.341 . . . . 0.0 110.917 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -40.98 89.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -29.72 69.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.529 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.0 OUTLIER -58.5 -28.86 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -78.47 -30.6 47.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -71.48 -42.67 67.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.962 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.529 HG22 ' O ' ' B' ' 458' ' ' TRP . 12.1 tt -58.98 -27.64 36.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.192 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.435 ' CD2' ' HD2' ' A' ' 61' ' ' ARG . 41.9 m-85 -101.26 -31.35 11.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.938 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -62.49 -59.9 4.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 53.0 p -99.99 -175.48 2.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 10.6 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.873 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.488 1.188 0 CA-C-O 120.809 0.254 . . . . 0.0 111.741 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 p -66.16 145.59 55.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.8 m80 59.99 75.04 0.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.8 p -176.37 159.49 1.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -174.52 146.39 8.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.525 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.57 95.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.809 0.338 . . . . 0.0 111.156 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.669 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -113.54 127.14 55.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.015 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.3 mp -97.26 116.15 38.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.433 ' HB3' ' CZ2' ' A' ' 29' ' ' TRP . 38.3 t80 -118.06 137.55 52.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.834 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 60.86 32.42 20.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.63 36.73 8.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 8' ' ' ILE . 41.2 t -131.33 135.11 60.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.047 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 p -79.33 105.05 10.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.812 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.35 -173.83 13.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.534 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.4 mm -120.0 122.84 69.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.862 0.363 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.867 HG12 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.15 124.38 54.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.739 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.56 129.91 31.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.027 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.813 HD12 ' CG2' ' A' ' 103' ' ' THR . 27.8 mt -89.19 134.76 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -105.29 118.86 37.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -103.45 30.03 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -91.35 -31.69 15.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.827 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.888 HG22 ' HD2' ' A' ' 24' ' ' PRO . 13.4 p -95.29 146.87 6.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.47 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -50.75 -66.58 0.63 Allowed Pre-proline 0 CA--C 1.531 0.242 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.709 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.888 ' HD2' HG22 ' A' ' 22' ' ' VAL . 19.0 Cg_endo -59.97 -16.55 39.48 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.464 2.11 . . . . 0.0 112.695 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.61 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 64.05 148.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.864 0.364 . . . . 0.0 111.08 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -155.65 156.2 34.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.867 HD21 HG12 ' A' ' 16' ' ' ILE . 6.9 tt -111.63 148.03 34.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.774 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.9 m -121.08 141.0 51.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.655 ' O ' HG23 ' A' ' 37' ' ' VAL . 34.6 t90 -134.03 112.99 11.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 ptt180 -117.37 133.27 56.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.819 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.6 t -59.08 141.1 54.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 17.0 m -62.02 -67.19 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.95 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -116.66 81.66 1.66 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -175.69 -132.86 1.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -162.26 36.13 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 18.2 mttp -122.05 118.77 29.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.655 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.7 p -135.43 139.89 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -134.37 150.64 50.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -125.84 147.53 49.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -142.12 137.41 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.085 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.749 ' O ' HG22 ' A' ' 44' ' ' THR . 21.6 t -77.85 134.35 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.104 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.592 HD11 HG23 ' A' ' 18' ' ' ILE . 31.1 mt -80.5 -28.32 37.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.034 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.454 ' H ' HG12 ' A' ' 41' ' ' VAL . 19.3 p -57.02 -40.78 77.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 41' ' ' VAL . 10.8 t -61.12 -24.86 66.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.042 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.0 mm -66.12 152.48 9.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.174 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 31.1 t0 -120.62 -54.77 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.43 ' HG3' ' HB ' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -134.52 166.4 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.729 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.576 HD11 ' HB3' ' A' ' 105' ' ' GLN . 0.1 OUTLIER -134.92 148.78 50.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.966 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -149.52 132.09 15.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.679 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -126.53 167.22 15.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.9 p -84.5 156.14 62.35 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.74 165.51 30.7 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.551 2.167 . . . . 0.0 112.345 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.04 -30.2 49.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.39 -32.08 73.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.9 m -79.05 132.11 36.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -61.18 -43.49 98.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.481 ' HB3' HD11 ' B' ' 461' ' ' ILE . 19.7 mmtp -67.49 85.04 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -91.95 113.22 25.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.815 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.435 ' HB2' ' CE1' ' B' ' 462' ' ' PHE . 1.7 mpp? -146.8 165.68 28.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.679 HD23 ' HB2' ' A' ' 50' ' ' ALA . 5.6 mt -119.78 140.69 50.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.773 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.6 ttt180 -128.79 140.12 51.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.09 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.791 HD21 HD13 ' A' ' 104' ' ' LEU . 13.4 mt -121.9 142.61 50.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.773 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.739 HG23 ' HG2' ' A' ' 86' ' ' ARG . 23.0 mm -118.3 140.61 41.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.109 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.37 157.01 17.12 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -87.53 117.18 26.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.93 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.912 HG11 HG21 ' A' ' 81' ' ' VAL . 21.2 t -60.98 141.41 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -86.78 85.85 7.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.825 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -55.5 -29.83 59.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.079 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -67.16 -30.34 70.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -76.91 -52.78 8.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.0 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 pttp -59.04 167.9 1.51 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.981 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -165.41 -174.11 3.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.5 pttt -116.72 97.73 6.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.938 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -139.65 36.11 2.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.927 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -114.09 -66.99 1.03 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -146.92 36.19 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 76.16 62.38 2.62 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -177.32 129.36 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.339 . . . . 0.0 110.855 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -76.94 113.34 14.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.4 p -124.12 144.64 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.912 HG21 HG11 ' A' ' 66' ' ' VAL . 12.9 p -97.02 136.86 21.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.092 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.4 ' HD2' HG23 ' A' ' 81' ' ' VAL . 95.6 Cg_endo -78.98 56.01 5.84 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.558 2.172 . . . . 0.0 112.41 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.07 137.87 0.04 OUTLIER Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.973 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.526 ' HA ' HG22 ' A' ' 66' ' ' VAL . 71.9 Cg_endo -76.87 -168.22 0.55 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.523 2.149 . . . . 0.0 112.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -114.32 131.49 56.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.789 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.739 ' HG2' HG23 ' A' ' 63' ' ' ILE . 35.1 mtt180 -152.33 121.45 6.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.894 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.6 m-70 -118.59 155.72 30.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.467 ' HE3' ' HE2' ' B' ' 462' ' ' PHE . 4.3 ppp? -134.6 148.0 50.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.067 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.521 ' HE1' HD12 ' A' ' 62' ' ' LEU . 12.2 m-85 -129.68 164.41 24.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.822 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -106.1 142.64 35.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 28.1 m-85 -140.2 168.52 19.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.4 p30 -144.19 31.41 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.582 ' HB3' HG23 ' A' ' 96' ' ' VAL . 8.1 m120 -144.76 115.31 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.1 mtm180 -68.3 -30.23 69.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.3 m -83.42 -29.37 28.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.074 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.582 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.5 t -86.59 -37.66 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.304 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 4.3 ppp? -57.0 -32.0 65.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.07 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -80.29 -29.82 38.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -67.56 -30.08 69.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.531 HG22 HD11 ' A' ' 104' ' ' LEU . 29.4 mm -74.36 -51.53 22.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.57 ' HA ' HD12 ' A' ' 104' ' ' LEU . 24.3 ttmt -59.68 -46.57 88.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.058 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 20.8 ptp -59.09 -29.69 67.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.007 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.813 ' CG2' HD12 ' A' ' 18' ' ' ILE . 59.9 m -80.75 -25.52 37.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.791 HD13 HD21 ' A' ' 62' ' ' LEU . 6.0 mt -84.28 -27.4 27.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.886 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HB3' HD11 ' A' ' 48' ' ' LEU . 14.0 pt20 -81.01 -30.72 34.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.99 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -72.48 -41.24 66.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.094 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 23.2 mt -69.1 -49.18 64.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.451 HD12 ' O ' ' A' ' 104' ' ' LEU . 32.7 mt -65.55 -46.11 90.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.062 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 76.8 p -64.36 -29.9 70.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -69.43 -37.93 77.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -89.79 -11.91 40.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.364 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -72.65 -31.6 65.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.885 0.374 . . . . 0.0 110.824 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -104.92 -27.37 11.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.984 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 57.11 46.98 18.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.17 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.898 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.852 0.358 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . 0.508 HD23 ' HE1' ' B' ' 458' ' ' TRP . 6.2 tp -134.71 11.58 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.336 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -88.66 9.42 24.26 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.614 -0.267 . . . . 0.0 111.43 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -90.06 -31.25 17.24 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.86 0.362 . . . . 0.0 110.919 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . 0.417 ' O ' ' CE2' ' B' ' 460' ' ' TYR . 4.5 p -89.69 -30.21 18.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.574 ' HA ' HG22 ' B' ' 461' ' ' ILE . 9.5 m95 -87.98 -0.05 56.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.459 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.99 -22.5 53.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.522 -179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . 0.417 ' CE2' ' O ' ' B' ' 457' ' ' SER . 8.0 p90 -100.08 -6.07 26.93 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.574 HG22 ' HA ' ' B' ' 458' ' ' TRP . 10.0 tt -100.05 -44.82 11.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.808 0.337 . . . . 0.0 111.257 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.49 ' N ' HG23 ' B' ' 461' ' ' ILE . 44.6 m-85 -81.57 -57.24 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -60.31 -63.25 1.37 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.877 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -100.04 79.05 2.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 16.8 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo . . . . . 0 N--CA 1.488 1.149 0 CA-C-O 120.791 0.246 . . . . 0.0 111.816 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.1 t 62.97 -79.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.037 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -105.41 39.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.2 p -170.42 161.52 8.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.546 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -168.69 155.48 26.06 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.577 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 96.61 0.1 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.804 0.335 . . . . 0.0 111.208 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -113.57 136.54 52.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.998 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.771 HG23 ' O ' ' A' ' 12' ' ' VAL . 21.3 mt -114.25 125.63 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.243 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.405 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 3.0 t80 -123.83 123.3 40.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.831 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.8 mt-10 62.7 49.21 3.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.077 0.465 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.1 mmtt 56.42 33.09 21.84 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.198 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.771 ' O ' HG23 ' A' ' 8' ' ' ILE . 92.8 t -119.51 118.17 56.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.913 0.387 . . . . 0.0 111.062 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.4 p -74.96 108.58 7.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -146.68 179.06 23.93 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.6 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.7 mm -113.94 137.77 46.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.785 0.326 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.984 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 tt -101.13 150.01 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.7 119.48 11.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.127 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.573 HG23 HD11 ' A' ' 42' ' ' LEU . 28.8 mt -89.16 134.54 28.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.071 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -102.19 104.29 14.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -105.57 25.54 10.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.2 p-10 -96.86 -30.88 12.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.723 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.944 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.3 p -101.99 147.48 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.639 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.514 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -43.26 -68.87 0.24 Allowed Pre-proline 0 N--CA 1.464 0.257 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.101 -179.67 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.944 ' HD2' HG22 ' A' ' 22' ' ' VAL . 55.6 Cg_endo -69.2 81.31 0.68 Allowed 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.269 1.98 . . . . 0.0 111.506 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -42.66 130.79 4.05 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.681 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -121.79 152.29 39.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.119 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.984 HD21 HD11 ' A' ' 16' ' ' ILE . 5.9 tt -118.47 115.47 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.628 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.0 m -98.43 148.01 24.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.599 ' O ' HG23 ' A' ' 37' ' ' VAL . 59.7 t90 -139.7 110.34 6.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.8 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -109.29 131.56 54.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -57.92 162.26 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 t -57.56 -39.91 77.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.001 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 27.9 p-10 -91.24 -31.23 16.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 98.81 34.68 5.12 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -90.06 -37.21 14.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 38.2 mttm -130.84 134.04 46.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.5 p -148.74 129.15 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 17.0 t60 -129.77 150.54 51.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -118.57 144.79 45.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 p -142.11 137.06 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.159 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.53 ' HB ' HG23 ' A' ' 44' ' ' THR . 23.6 t -74.87 119.27 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.035 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.901 HD22 HD21 ' A' ' 104' ' ' LEU . 60.6 mt -67.98 -28.88 67.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.027 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 p -56.51 -30.42 62.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.53 HG23 ' HB ' ' A' ' 41' ' ' VAL . 45.6 p -66.0 -29.32 69.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.473 HG22 ' N ' ' A' ' 46' ' ' ASP . 38.1 mm -59.98 157.21 2.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.022 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.473 ' N ' HG22 ' A' ' 45' ' ' ILE . 36.5 t0 -124.59 -54.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.0 tttt -130.06 161.43 31.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.573 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.77 HD21 ' HB3' ' A' ' 104' ' ' LEU . 3.6 mp -121.97 145.4 48.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -152.44 143.7 23.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -149.85 167.15 27.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.102 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.658 HG22 HG12 ' B' ' 461' ' ' ILE . 17.2 p -70.19 149.74 96.05 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.545 ' HD3' HG21 ' B' ' 464' ' ' THR . 55.8 Cg_endo -70.22 165.43 31.51 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.628 2.219 . . . . 0.0 112.288 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.81 -31.49 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.089 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -67.85 -32.38 72.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 37.4 t -62.87 125.98 25.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.88 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -63.1 -40.83 98.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 tttt -82.16 106.73 14.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.442 ' HE3' ' N ' ' A' ' 93' ' ' ASN . 19.3 mtm -86.63 113.44 22.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.472 ' HE3' ' CZ ' ' B' ' 462' ' ' PHE . 24.8 mtm -147.59 152.96 38.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.527 HD11 ' HB2' ' A' ' 101' ' ' LYS . 1.2 tp -110.65 159.2 17.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.431 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 1.0 OUTLIER -145.8 143.5 29.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.912 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.585 ' O ' HD13 ' A' ' 63' ' ' ILE . 8.5 mt -124.54 142.5 51.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.815 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.642 HD12 ' HG3' ' A' ' 86' ' ' ARG . 7.8 mm -123.46 112.54 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.27 174.27 55.25 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.541 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -73.12 -170.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.9 m -108.46 156.21 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -130.86 79.55 1.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -105.58 36.51 2.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 9.8 m -115.38 -38.76 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 -57.17 3.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? 63.64 126.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.22 124.22 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt 61.61 113.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -103.56 -31.54 9.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -146.9 -69.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.82 116.94 0.18 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.06 136.97 9.04 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 60.76 111.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.855 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.13 79.24 6.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.0 p -74.04 152.59 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 83' ' ' LYS . 21.7 t -96.88 137.57 21.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 15.1 Cg_exo -40.7 88.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 123.486 2.791 . . . . 0.0 113.054 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.3 ptmt -124.47 146.75 53.22 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 114.372 -1.285 . . . . 0.0 110.909 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.26 -178.34 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.519 2.146 . . . . 0.0 112.314 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -115.56 140.03 49.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.642 ' HG3' HD12 ' A' ' 63' ' ' ILE . 5.5 mpt_? -141.18 105.49 4.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -113.54 130.14 56.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 16.3 ptm -116.2 139.27 50.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.991 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -124.25 163.85 20.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.82 122.85 41.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.962 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -116.22 170.89 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 24.4 m-20 -127.63 30.96 5.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.442 ' N ' ' HE3' ' A' ' 58' ' ' MET . 13.4 m-20 -172.42 142.76 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.1 ptp180 -82.71 -31.6 28.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.8 t -72.04 -43.36 65.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.8 t -63.24 -51.77 67.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.056 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 22.1 ptm -60.17 -31.14 69.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -63.94 -31.48 72.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.403 ' HA ' ' HG2' ' A' ' 102' ' ' MET . 3.0 m-20 -80.06 -24.79 40.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.035 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.641 HG22 HD12 ' A' ' 104' ' ' LEU . 30.0 mm -76.64 -52.83 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.527 ' HB2' HD11 ' A' ' 60' ' ' LEU . 15.7 ttmt -62.25 -45.39 93.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.926 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.403 ' HG2' ' HA ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -60.2 -31.43 70.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 88.3 m -84.21 -26.46 28.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.901 HD21 HD22 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -80.73 -29.4 36.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.027 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.577 ' HG2' HD13 ' A' ' 48' ' ' LEU . 7.9 mt-30 -74.98 -40.0 60.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.052 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -29.67 67.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.052 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.774 HD12 ' HA ' ' A' ' 104' ' ' LEU . 15.4 mt -68.38 -58.22 6.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.6 mt -61.95 -32.07 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.048 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.9 t -76.3 -31.49 58.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 30.4 mtp85 -72.64 -31.4 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -91.22 10.88 25.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.333 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 19.7 mttm -122.35 -43.35 2.31 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -73.64 -34.61 65.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -88.76 -70.19 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.905 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.895 0.379 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.11 11.59 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.339 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 30.8 p-10 -74.36 -29.02 61.39 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.775 0.321 . . . . 0.0 110.959 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.19 -30.74 66.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 1.1 t -82.58 -31.36 29.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.487 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -82.97 -29.99 28.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -75.68 -32.04 59.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -70.81 -45.41 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.658 HG12 HG22 ' A' ' 51' ' ' THR . 11.9 tt -59.05 -29.21 40.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.472 ' CZ ' ' HE3' ' A' ' 59' ' ' MET . 39.7 m-85 -102.99 1.8 34.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.454 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -100.01 2.24 43.26 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.387 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.545 HG21 ' HD3' ' A' ' 52' ' ' PRO . 8.8 t -59.91 131.67 51.59 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.815 0.34 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 6.4 p . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo . . . . . 0 N--CA 1.487 1.145 0 CA-C-O 120.882 0.284 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t 60.17 31.06 20.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.513 ' HD2' HG21 ' A' ' 103' ' ' THR . 78.4 m80 59.88 85.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 66.9 p -176.71 131.95 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.15 139.34 7.28 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.33 102.01 0.28 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -113.64 133.43 55.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.734 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -99.04 115.6 40.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.48 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 15.2 t80 -119.23 134.84 54.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 62.53 33.15 16.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.934 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? 64.32 35.34 9.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.734 ' O ' HG23 ' A' ' 8' ' ' ILE . 39.2 t -127.87 136.6 59.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.044 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.85 110.57 17.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -148.34 168.27 29.04 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.504 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.3 mm -105.58 134.66 46.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.842 0.353 . . . . 0.0 111.061 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.948 HD11 HD21 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.09 151.11 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.059 -179.936 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.68 129.02 21.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.151 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.599 HG23 HD12 ' A' ' 42' ' ' LEU . 30.0 mt -98.97 135.32 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -102.77 97.55 7.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -84.6 -23.95 29.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.108 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 -53.53 -30.96 44.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.001 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.77 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -90.84 146.81 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.474 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -57.81 -65.83 1.63 Allowed Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.656 -179.323 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.77 ' HD2' HG22 ' A' ' 22' ' ' VAL . 20.6 Cg_endo -60.99 -15.36 38.51 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.801 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . 62.87 150.0 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.746 0.308 . . . . 0.0 110.981 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -144.82 146.98 32.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.106 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.948 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -116.22 107.96 15.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.553 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -98.02 136.76 37.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.003 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.66 ' O ' HG23 ' A' ' 37' ' ' VAL . 50.2 t90 -128.39 117.53 21.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.769 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.95 137.28 53.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.9 t -59.01 157.79 9.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.7 t -58.93 -31.42 68.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -96.09 -44.24 7.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 115.21 46.79 0.57 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.564 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.62 -42.32 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.812 0.339 . . . . 0.0 110.915 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 29.2 mtpt -127.14 125.23 40.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.6 p -139.39 137.38 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.104 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.437 ' CD2' ' N ' ' A' ' 39' ' ' THR . 12.7 t60 -144.0 150.64 38.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.882 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.437 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 3.5 m -127.14 146.09 50.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 p -142.05 146.12 23.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.071 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.797 ' O ' HG22 ' A' ' 44' ' ' THR . 21.5 t -73.89 128.56 36.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.639 HD22 ' CD2' ' A' ' 104' ' ' LEU . 18.9 mt -80.62 -29.83 36.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.964 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 10.9 t -58.52 -39.66 80.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.047 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.797 HG22 ' O ' ' A' ' 41' ' ' VAL . 13.3 t -59.23 -27.39 65.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.106 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mm -61.57 151.31 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.063 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -124.92 -50.26 1.71 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 48' ' ' LEU . 0.3 OUTLIER -130.1 132.91 46.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.571 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.715 HD21 ' HG2' ' A' ' 105' ' ' GLN . 4.0 pp -120.84 136.24 54.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.0 164.2 21.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -152.73 167.18 29.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 68.5 p -87.42 150.77 49.7 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.42 164.47 35.06 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.579 2.186 . . . . 0.0 112.303 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.13 -30.45 68.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.143 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 p -66.39 -31.3 71.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.3 t -60.18 127.29 31.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -60.11 -31.16 69.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.12 117.79 34.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mpp? -90.93 118.86 30.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.9 mtm -145.42 164.83 30.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 61' ' ' ARG . 1.3 tt -132.18 160.23 36.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.498 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -142.74 142.5 31.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.007 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.615 HD21 HD13 ' A' ' 104' ' ' LEU . 11.2 mt -124.68 142.38 51.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.667 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.538 HG23 ' HG2' ' A' ' 86' ' ' ARG . 10.9 mm -117.45 111.11 33.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.073 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -58.67 -174.15 0.51 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.589 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.6 mttm -101.4 134.65 44.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.866 0.365 . . . . 0.0 110.872 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 84' ' ' PRO . 4.1 m -104.89 148.19 9.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.129 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.49 91.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -132.64 -74.61 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.7 30.95 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.784 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.4 mtmt -158.77 -45.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 45.36 -167.53 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.422 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.715 ' HD3' HG12 ' A' ' 81' ' ' VAL . 13.8 mmt180 -86.04 102.89 14.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.041 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.4 mttt 64.18 130.79 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -97.35 31.04 2.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.026 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 58.71 106.33 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.965 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 59.44 91.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 148.91 -19.5 1.24 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.689 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 11.0 m120 65.92 103.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.828 0.347 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -157.23 69.34 0.57 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.9 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.2 m -65.12 152.96 8.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.715 HG12 ' HD3' ' A' ' 72' ' ' ARG . 10.6 p -54.54 137.13 62.01 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.017 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.472 ' O ' ' O ' ' A' ' 83' ' ' LYS . 85.7 Cg_endo -78.03 55.31 5.26 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.515 2.143 . . . . 0.0 112.646 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.472 ' O ' ' O ' ' A' ' 82' ' ' PRO . 0.0 OUTLIER 52.67 157.02 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.781 179.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.509 ' HA ' HG12 ' A' ' 66' ' ' VAL . 72.4 Cg_endo -77.19 -168.09 0.55 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.531 2.154 . . . . 0.0 112.33 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -140.02 130.02 24.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.538 ' HG2' HG23 ' A' ' 63' ' ' ILE . 58.5 mtt180 -150.03 117.96 6.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -120.15 140.13 51.56 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.3 ptm -121.06 122.4 40.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.48 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 17.7 m-85 -110.5 164.46 12.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -108.51 157.37 18.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.964 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 34.4 m-85 -145.54 147.71 32.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -110.15 -31.66 7.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -94.53 145.11 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.67 -51.06 8.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 51.1 m -60.09 -47.82 84.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.7 t -59.91 -41.26 85.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 7.6 tmm? -60.29 -32.68 71.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -75.5 -31.73 60.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -64.65 -39.96 94.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.646 HG22 ' CD1' ' A' ' 104' ' ' LEU . 31.6 mm -68.72 -55.02 17.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.075 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.456 ' HB2' HD11 ' A' ' 60' ' ' LEU . 2.5 ttmm -58.17 -49.16 77.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.971 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.5 -52.35 65.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.738 HG22 HD11 ' A' ' 107' ' ' ILE . 87.6 m -61.11 -40.73 94.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 107' ' ' ILE . 22.0 mt -59.94 -46.38 89.59 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.715 ' HG2' HD21 ' A' ' 48' ' ' LEU . 3.8 mm100 -59.46 -30.67 68.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -76.6 -42.26 43.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.913 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 104' ' ' LEU . 6.5 mt -62.39 -39.78 85.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.033 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.69 ' CD1' HD23 ' A' ' 48' ' ' LEU . 18.1 mt -72.68 -36.9 54.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.035 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.4 t -67.85 -31.97 72.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -71.14 -41.19 70.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -93.52 9.78 35.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.355 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -72.35 -46.59 54.83 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.873 0.368 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -101.2 -75.22 0.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -169.46 66.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.241 -0.885 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.757 0.313 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.4 tp -135.02 11.61 3.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.361 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -77.28 -30.39 54.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.868 0.365 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 -59.47 -43.0 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 8.4 m -79.75 -36.28 37.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' B' ' 458' ' ' TRP . 0.1 OUTLIER -73.4 -25.69 60.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.08 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -80.89 -27.69 36.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.058 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . 0.728 ' HD1' HG23 ' B' ' 464' ' ' THR . 0.1 OUTLIER -83.08 -39.77 20.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.124 -179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . . . . . . . . . 9.5 tt -56.69 -28.65 28.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.374 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 48.9 m-85 -102.18 -29.01 11.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.11 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -76.3 -27.8 56.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.006 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.728 HG23 ' HD1' ' B' ' 460' ' ' TYR . 1.0 OUTLIER -56.91 148.35 21.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.065 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.825 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.173 0 CA-C-O 120.808 0.253 . . . . 0.0 111.719 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 p -128.4 78.76 1.86 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.464 ' CD2' HG21 ' A' ' 103' ' ' THR . 1.8 m80 60.15 96.37 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.94 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.6 p -177.21 140.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.446 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -157.62 146.4 13.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.04 118.17 6.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.054 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -134.23 134.64 42.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.715 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mp -102.16 129.9 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.13 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 89' ' ' PHE . 10.9 t80 -130.46 125.71 35.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.433 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.3 tt0 61.0 43.9 10.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 60.09 35.47 21.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.073 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.715 ' O ' HG23 ' A' ' 8' ' ' ILE . 48.4 t -127.12 132.4 69.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.978 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.71 ' O ' HG23 ' A' ' 32' ' ' THR . 77.6 p -86.15 119.01 25.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.82 172.33 33.83 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.5 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.2 mm -105.6 135.36 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.827 0.346 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.669 ' CD1' HD11 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -101.0 129.95 51.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.009 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.9 124.27 44.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.085 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.705 HG12 HD23 ' A' ' 27' ' ' LEU . 22.8 mt -89.82 136.75 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -103.34 109.44 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -101.47 -25.06 14.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -50.39 -30.97 13.59 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.892 0.377 . . . . 0.0 110.974 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.852 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.4 p -97.83 145.62 9.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.76 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.521 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.4 OUTLIER -58.24 -67.54 0.91 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.109 -179.564 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.852 ' HD2' HG22 ' A' ' 22' ' ' VAL . 86.0 Cg_exo -43.91 -28.89 2.29 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.336 2.024 . . . . 0.0 112.579 179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.487 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.52 121.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.744 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -121.74 146.24 47.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.355 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.705 HD23 HG12 ' A' ' 18' ' ' ILE . 3.4 tm? -108.49 111.03 22.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.436 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.411 HG23 ' OG1' ' A' ' 39' ' ' THR . 0.5 OUTLIER -97.72 148.9 22.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.182 -179.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.477 ' O ' HG23 ' A' ' 37' ' ' VAL . 60.6 t90 -139.75 107.54 5.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.574 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.46 132.52 52.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 79.3 p -59.42 156.3 13.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 13' ' ' SER . 41.3 p -57.7 -38.9 76.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -78.81 -30.86 45.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 90.58 39.15 5.99 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -110.6 -32.22 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt -125.64 126.31 44.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.0 p -148.75 143.52 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -145.1 150.61 37.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.946 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.411 ' OG1' HG23 ' A' ' 28' ' ' THR . 29.7 m -117.96 145.19 44.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.3 p -142.15 123.75 12.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.17 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.683 ' HB ' HG23 ' A' ' 44' ' ' THR . 39.0 t -61.06 119.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.721 ' CD1' HD13 ' A' ' 107' ' ' ILE . 33.9 mt -64.02 -28.95 70.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.933 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.408 ' H ' HG12 ' A' ' 41' ' ' VAL . 26.2 t -58.8 -30.56 67.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.683 HG23 ' HB ' ' A' ' 41' ' ' VAL . 33.3 p -66.65 -27.17 67.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.984 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.704 HD12 HD23 ' A' ' 62' ' ' LEU . 35.3 mm -57.89 154.98 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.052 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' N ' HG22 ' A' ' 45' ' ' ILE . 8.9 t0 -115.63 -54.83 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.077 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.427 ' HG3' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -139.77 171.3 14.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.015 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.981 HD11 HD12 ' A' ' 108' ' ' ILE . 4.9 mp -125.36 140.76 52.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.574 ' HG3' HG21 ' B' ' 465' ' ' THR . 1.4 tt0 -152.6 139.43 18.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.014 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.722 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -142.49 167.22 22.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.483 HG22 HG12 ' B' ' 461' ' ' ILE . 16.2 p -79.18 154.24 77.17 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.94 151.58 68.08 Favored 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 122.534 2.156 . . . . 0.0 112.302 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -28.78 67.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.109 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.6 m -66.36 -30.2 70.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.976 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 59.9 p -59.23 150.44 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -75.19 -47.63 27.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.82 127.38 35.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 49.7 mtm -96.97 113.75 25.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 77.5 mtm -151.41 165.69 33.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.722 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 2.8 tt -135.31 140.38 45.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.45 ' HB2' ' CG ' ' B' ' 462' ' ' PHE . 0.0 OUTLIER -116.98 112.0 20.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.126 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.704 HD23 HD12 ' A' ' 45' ' ' ILE . 0.1 OUTLIER -90.73 142.53 27.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.958 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.477 HD12 ' CG ' ' A' ' 86' ' ' ARG . 30.5 mm -111.46 140.54 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.048 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.37 163.32 16.71 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.491 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -74.58 166.88 22.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.75 HG22 ' HD3' ' A' ' 84' ' ' PRO . 20.5 t -83.67 158.63 3.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.475 ' N ' HG12 ' A' ' 66' ' ' VAL . 2.2 m-20 -158.35 104.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -101.39 37.46 1.78 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 59.5 p -127.76 36.79 4.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.7 mttm -147.32 -46.89 0.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.963 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.19 -173.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.83 150.44 20.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.963 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.6 tttp 61.56 110.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -86.1 -62.48 1.51 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -133.62 -65.19 0.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -163.78 86.46 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 101.71 68.45 0.82 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -174.34 112.61 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.805 0.336 . . . . 0.0 110.839 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -77.58 102.28 6.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 27.4 t -100.07 137.93 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.004 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.422 HG13 ' HD2' ' A' ' 82' ' ' PRO . 23.6 t -122.7 136.65 26.92 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.024 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.422 ' HD2' HG13 ' A' ' 81' ' ' VAL . 55.7 Cg_endo -69.03 62.46 1.36 Allowed 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.533 2.156 . . . . 0.0 112.281 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.08 157.75 35.09 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.838 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.75 ' HD3' HG22 ' A' ' 66' ' ' VAL . 18.7 Cg_endo -58.27 129.84 34.82 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.539 2.159 . . . . 0.0 112.177 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -57.58 176.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.014 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.477 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -165.99 101.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.747 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 48.0 m-70 -121.13 129.12 53.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.93 149.87 32.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.494 ' CD1' ' CD1' ' A' ' 9' ' ' PHE . 88.0 m-85 -122.6 162.57 21.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.4 m -106.66 153.09 22.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.9 m-85 -150.45 169.06 22.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.859 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -137.23 31.4 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.658 ' OD1' HG23 ' A' ' 96' ' ' VAL . 1.4 t-20 -154.01 141.26 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.59 -31.27 29.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 60.2 m -80.17 -45.96 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.658 HG23 ' OD1' ' A' ' 93' ' ' ASN . 26.4 t -62.59 -45.82 97.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.116 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 6.0 tmm? -59.81 -31.57 69.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.6 -31.92 57.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.871 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -66.62 -41.73 87.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.775 HG22 HD13 ' A' ' 104' ' ' LEU . 28.2 mm -68.77 -54.65 19.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.059 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.7 ttmt -58.85 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 22.3 ttp -58.82 -43.87 90.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.978 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.464 HG21 ' CD2' ' A' ' 3' ' ' HIS . 87.1 m -71.47 -28.25 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.782 ' HA ' HD12 ' A' ' 107' ' ' ILE . 0.6 OUTLIER -77.94 -29.33 49.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.894 179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.752 ' HG2' HD13 ' A' ' 48' ' ' LEU . 11.2 mt-30 -72.03 -30.34 65.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 0.3 OUTLIER -73.93 -28.7 61.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.138 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.782 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.6 mt -72.85 -39.98 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.09 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.981 HD12 HD11 ' A' ' 48' ' ' LEU . 25.7 mt -75.32 -37.44 38.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.07 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.6 m -65.27 -31.34 72.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 58.6 mtp85 -74.71 -31.91 62.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -101.06 10.3 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.322 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -78.49 -43.91 25.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.801 0.334 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -106.99 10.75 30.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.324 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 55.34 35.82 25.78 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.858 0.361 . . . . 0.0 111.279 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.909 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.0 mp -109.76 -30.98 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -59.43 -39.03 82.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -60.24 -51.71 68.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 29.1 p -73.34 -29.56 62.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.463 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -57.96 -27.35 63.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -78.44 -28.76 46.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -86.74 -42.29 13.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.065 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.483 HG12 HG22 ' A' ' 51' ' ' THR . 9.7 tt -56.09 -29.04 26.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.295 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.45 ' CG ' ' HB2' ' A' ' 61' ' ' ARG . 37.2 m-85 -105.64 12.3 31.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.393 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.12 -54.38 3.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.803 0.335 . . . . 0.0 110.863 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 2.1 m -59.48 145.8 42.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . 0.574 HG21 ' HG3' ' A' ' 49' ' ' GLN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo . . . . . 0 N--CA 1.488 1.19 0 CA-C-O 120.788 0.245 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.9 m -110.44 -73.95 0.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.933 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -106.76 39.92 1.75 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 52.9 p -165.26 148.35 8.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.05 143.15 9.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.585 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.49 100.4 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.776 0.322 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -114.04 137.24 51.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.1 mp -98.53 137.37 26.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.133 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 13.0 t80 -135.83 116.69 14.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 12' ' ' VAL . 2.7 mt-10 62.96 51.73 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 57.67 30.19 18.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.158 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 8' ' ' ILE . 58.3 t -121.54 127.63 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.01 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.2 108.82 17.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.84 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.4 169.73 25.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.512 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.3 mm -108.23 135.24 47.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.763 0.316 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.011 HD11 HD21 ' A' ' 27' ' ' LEU . 1.0 OUTLIER -101.05 144.87 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.976 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 119.68 11.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.191 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.8 mt -89.37 136.13 24.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.076 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -106.37 110.82 23.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -98.48 29.13 3.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.956 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -88.31 -32.19 18.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.731 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.916 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.1 p -104.35 148.39 9.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.455 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.84 -64.97 0.9 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.549 -179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.916 ' HD2' HG22 ' A' ' 22' ' ' VAL . 18.0 Cg_endo -59.22 -17.74 40.86 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.585 2.19 . . . . 0.0 112.581 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.691 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 62.52 169.15 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.978 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.409 ' HG2' HG22 ' A' ' 41' ' ' VAL . 41.4 mt-10 -156.66 146.08 20.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.125 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.011 HD21 HD11 ' A' ' 16' ' ' ILE . 6.7 tt -113.63 112.61 23.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.628 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -97.78 147.97 23.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.943 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.695 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.4 t90 -137.77 107.58 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.748 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt85 -106.13 125.53 51.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.5 t -57.68 160.87 4.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.943 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -58.15 -32.12 67.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.2 m-20 -96.85 -38.97 9.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.95 45.5 1.28 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -108.7 -40.75 4.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.835 0.35 . . . . 0.0 110.876 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.7 mttm -119.27 121.22 39.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 29' ' ' TRP . 14.5 p -147.39 139.31 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.085 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -144.24 150.64 38.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.059 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -114.27 108.97 17.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 p -107.52 129.8 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.866 ' O ' HG22 ' A' ' 44' ' ' THR . 32.7 t -75.46 120.04 24.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.013 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.941 HD22 HD21 ' A' ' 104' ' ' LEU . 68.3 mt -55.87 -25.46 42.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.15 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.617 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.4 OUTLIER -56.23 -31.6 63.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.144 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.866 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.5 t -65.51 -27.89 68.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.011 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -58.26 152.31 3.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -124.89 -51.52 1.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.404 ' CG ' ' CG1' ' A' ' 63' ' ' ILE . 0.0 OUTLIER -130.06 171.41 12.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.92 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.648 HD13 ' HB3' ' A' ' 105' ' ' GLN . 3.6 mt -128.04 125.01 38.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -143.0 136.01 28.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.954 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -133.27 167.19 20.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.552 HG22 HG12 ' B' ' 461' ' ' ILE . 18.1 p -72.42 153.42 91.98 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.85 152.32 68.81 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.614 2.209 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.98 -28.88 69.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.36 -29.72 69.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 32.2 t -58.7 135.38 57.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.09 -37.88 81.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.951 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.97 137.64 41.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.938 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.9 mpp? -101.88 125.52 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 25.2 mtm -150.72 165.67 32.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.954 HD23 ' HB2' ' A' ' 50' ' ' ALA . 1.8 mt -127.84 153.35 46.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.446 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.3 ttt180 -138.1 143.8 40.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.929 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 HD23 HD23 ' A' ' 48' ' ' LEU . 4.9 mt -124.62 140.21 53.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' HD3' ' A' ' 86' ' ' ARG . 42.4 mm -105.28 123.5 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.66 170.28 18.14 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.0 mttm -95.62 159.55 14.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 4.4 m -102.87 179.75 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -150.46 116.31 5.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -122.81 54.49 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.5 m -114.38 -54.22 2.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.49 ' HB2' HG21 ' A' ' 81' ' ' VAL . 26.6 mttt -94.38 -71.67 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt 59.96 -169.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.934 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.9 mtt180 63.55 124.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HG2' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -95.64 88.47 5.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.14 158.86 4.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.024 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 37.7 m-20 -66.93 -14.6 62.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.365 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -51.78 -29.52 19.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.797 0.332 . . . . 0.0 111.17 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 140.56 78.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.534 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.9 p30 44.07 101.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.055 0.455 . . . . 0.0 111.795 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -117.87 52.4 1.0 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.843 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG11 ' HG3' ' A' ' 83' ' ' LYS . 6.0 t -69.28 161.99 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.055 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.5 ' HB ' ' CD ' ' A' ' 82' ' ' PRO . 31.0 t -147.17 -64.59 0.02 OUTLIER Pre-proline 0 CA--C 1.533 0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.352 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.5 ' CD ' ' HB ' ' A' ' 81' ' ' VAL . 51.7 Cg_endo -67.25 63.79 0.7 Allowed 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 122.364 2.042 . . . . 0.0 112.456 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.511 ' HG3' HG11 ' A' ' 80' ' ' VAL . 3.3 mttt -108.94 91.73 9.58 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.12 140.71 50.3 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.51 2.14 . . . . 0.0 112.26 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -129.73 173.62 10.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.638 ' HD3' HD12 ' A' ' 63' ' ' ILE . 11.7 mtt-85 -152.31 115.54 4.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.781 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 24.2 m-70 -101.72 121.85 42.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.925 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 1.6 ptm -110.92 141.81 43.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.2 m-85 -126.96 164.33 21.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.1 m -113.57 154.84 26.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -146.89 170.59 16.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -131.87 31.06 4.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.597 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.1 m120 -171.0 127.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.2 ptt85 -72.94 -31.48 64.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.8 m -76.16 -34.97 59.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.597 HG23 ' HB3' ' A' ' 93' ' ' ASN . 22.0 t -76.16 -52.36 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.673 ' HB2' HD12 ' A' ' 60' ' ' LEU . 2.2 ppp? -60.32 -33.81 72.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.65 -31.36 72.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -69.52 -28.09 65.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.8 mm -73.52 -51.9 23.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.975 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -59.17 -47.36 85.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 21.3 ptp -58.55 -31.21 67.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 70.4 m -83.68 -26.08 30.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.941 HD21 HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -81.74 -27.38 33.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.917 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.648 ' HB3' HD13 ' A' ' 48' ' ' LEU . 0.4 OUTLIER -78.1 -30.53 49.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.043 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -73.29 -29.62 62.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.09 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.563 HD13 ' CD1' ' A' ' 42' ' ' LEU . 14.3 mt -76.32 -41.88 36.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.108 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 22.4 mt -73.85 -33.4 37.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.179 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.3 p -62.5 -28.49 69.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -89.4 -27.14 20.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.384 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 107' ' ' ILE . 14.9 m-30 -95.64 -11.91 26.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.7 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.5 ptpp? -70.41 -29.26 65.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.807 0.337 . . . . 0.0 111.012 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -108.28 -32.71 7.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -66.49 -36.32 82.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.072 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.7 t0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.857 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.802 0.334 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 3.7 mp -98.69 11.63 37.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.318 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -95.79 -46.49 6.56 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.926 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -89.93 -42.7 11.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . 0.422 ' O ' HG22 ' B' ' 461' ' ' ILE . 68.5 m -59.86 -31.32 69.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -71.76 -29.06 64.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 55.3 m-20 -83.45 -27.19 29.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.113 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -92.4 -34.75 14.03 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.13 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.552 HG12 HG22 ' A' ' 51' ' ' THR . 11.7 tt -58.37 -43.94 87.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.263 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.478 ' N ' HG23 ' B' ' 461' ' ' ILE . 64.2 m-85 -91.59 12.19 21.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.398 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -92.48 -37.0 12.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.848 0.356 . . . . 0.0 110.893 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 1.1 m -60.03 157.77 12.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 9.8 t . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.488 1.181 0 CA-C-O 120.853 0.272 . . . . 0.0 111.746 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.8 p -132.03 121.84 24.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.1 m80 61.2 155.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 m 60.17 159.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.11 164.87 31.54 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.508 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.57 137.73 58.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.85 121.46 3.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.038 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.673 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.0 mp -101.85 117.98 47.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.173 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.424 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 14.9 t80 -121.53 134.72 55.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.816 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 62.18 35.17 15.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 63.95 31.66 13.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.673 ' O ' HG23 ' A' ' 8' ' ' ILE . 46.3 t -125.69 133.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.02 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.8 p -81.58 117.08 21.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.542 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -153.09 168.58 31.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.457 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.8 mm -105.54 136.56 39.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.744 0.307 . . . . 0.0 110.987 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.037 HD11 HD21 ' A' ' 27' ' ' LEU . 0.4 OUTLIER -101.14 134.59 40.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.046 -179.899 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.67 115.89 22.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.9 mt -89.11 133.88 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -109.05 97.46 7.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -105.92 27.73 8.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.944 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -98.11 -30.84 12.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.734 HG23 ' H ' ' A' ' 25' ' ' ALA . 10.8 m -83.85 -178.21 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.01 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.411 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.06 -60.86 2.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.348 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.405 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 62.5 Cg_endo -73.33 -33.13 7.42 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.532 2.154 . . . . 0.0 112.747 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.734 ' H ' HG23 ' A' ' 22' ' ' VAL . . . 64.18 132.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.795 -179.643 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.482 ' HG2' HG22 ' A' ' 41' ' ' VAL . 32.0 mt-10 -132.51 169.62 16.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.981 0.42 . . . . 0.0 111.441 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.037 HD21 HD11 ' A' ' 16' ' ' ILE . 5.7 tt -123.82 116.0 22.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.552 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.409 ' HA ' HG23 ' A' ' 39' ' ' THR . 2.6 m -97.71 150.72 20.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.123 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 37' ' ' VAL . 56.2 t90 -140.43 109.15 5.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.699 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -111.06 136.96 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.8 t -59.39 144.25 47.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.542 HG23 ' HA2' ' A' ' 14' ' ' GLY . 17.6 p -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -168.58 76.8 0.12 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -156.97 -111.47 0.34 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.521 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -174.42 36.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.805 0.336 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.01 119.79 20.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.2 p -132.95 139.27 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.083 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 22.1 t60 -132.83 147.31 52.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.409 HG23 ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -127.91 147.84 50.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.963 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.5 t -141.52 120.9 10.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.062 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.887 ' O ' HG22 ' A' ' 44' ' ' THR . 42.1 t -76.75 103.07 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.911 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.925 HD22 HD21 ' A' ' 104' ' ' LEU . 68.7 mt -55.38 -23.74 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -42.95 89.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.941 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.887 HG22 ' O ' ' A' ' 41' ' ' VAL . 12.9 t -71.11 -27.38 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.994 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.3 mm -59.19 151.67 4.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.903 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -122.41 -44.0 2.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.034 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -129.99 166.7 19.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.015 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.748 HD13 ' HG3' ' A' ' 101' ' ' LYS . 2.2 pp -148.51 115.04 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.786 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.86 164.14 13.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.985 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.591 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -148.46 146.48 28.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.005 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.432 HG23 ' O ' ' A' ' 59' ' ' MET . 29.6 p -59.52 149.28 71.04 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.19 158.23 57.06 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.537 2.158 . . . . 0.0 112.368 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -29.11 68.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.122 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -66.35 -30.23 70.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.95 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.3 t -59.44 129.03 40.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.902 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -59.89 -30.99 69.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.962 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.85 118.75 33.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -84.62 122.44 29.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.477 ' C ' HD12 ' A' ' 60' ' ' LEU . 3.4 mtm -142.26 152.28 42.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.591 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 10.7 mp -123.64 152.34 42.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.818 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.548 ' O ' HD13 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -145.87 152.09 38.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.077 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.649 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -121.68 142.48 50.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.783 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.477 HD11 ' NE ' ' A' ' 61' ' ' ARG . 21.7 mm -98.44 139.43 20.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.152 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.79 163.96 48.22 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.432 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.2 mttm -69.39 162.31 27.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.791 0.329 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.737 HG22 ' HB3' ' A' ' 84' ' ' PRO . 11.6 t -131.3 159.66 42.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.467 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -140.47 55.97 1.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.401 ' HA ' HG21 ' A' ' 81' ' ' VAL . 3.1 pt-20 -85.07 71.14 10.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -159.98 29.16 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.955 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -160.44 -77.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.438 ' HB3' HG23 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -61.08 139.05 58.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.97 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.7 mmm-85 -146.37 170.48 16.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.83 83.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.866 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -148.24 108.69 4.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 177.87 -77.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.759 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.53 36.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.81 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 161.21 38.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.23 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 50.71 97.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.029 0.443 . . . . 0.0 111.386 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -107.74 63.3 0.62 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.546 179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 19.0 m -40.46 156.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.891 -179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG23 ' HB3' ' A' ' 71' ' ' LYS . 11.0 p -55.04 137.71 66.19 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.386 -179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.419 ' HD2' HG23 ' A' ' 81' ' ' VAL . 12.6 Cg_exo -39.68 90.44 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 123.462 2.774 . . . . 0.0 112.968 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' N ' ' O ' ' A' ' 81' ' ' VAL . 5.1 ttmt -45.11 142.58 2.79 Favored Pre-proline 0 C--N 1.317 -0.831 0 CA-C-N 114.294 -1.321 . . . . 0.0 111.174 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.737 ' HB3' HG22 ' A' ' 66' ' ' VAL . 58.3 Cg_endo -71.49 -171.26 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.563 2.176 . . . . 0.0 112.393 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -129.45 147.8 51.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.822 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.44 ' HG3' HG23 ' A' ' 63' ' ' ILE . 2.5 mpt_? -131.34 107.09 8.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -101.82 143.24 31.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.781 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -132.76 139.12 47.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.067 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -116.57 163.16 16.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.677 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -108.82 138.53 45.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.964 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -129.84 170.9 13.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -138.33 34.31 2.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.63 ' HB3' HG23 ' A' ' 96' ' ' VAL . 15.3 m-20 -167.67 141.29 3.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.0 ttt-85 -82.42 -38.14 24.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.32 -31.09 62.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.93 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.63 HG23 ' HB3' ' A' ' 93' ' ' ASN . 24.8 t -74.25 -36.7 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.064 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.493 ' CE ' HD11 ' A' ' 60' ' ' LEU . 5.8 ptm -77.98 -31.29 50.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -62.37 -31.13 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -74.51 -30.35 61.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 34.3 mm -75.47 -51.13 21.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.748 ' HG3' HD13 ' A' ' 48' ' ' LEU . 6.2 ttpp -60.24 -45.92 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.047 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.8 ptt? -58.73 -31.5 68.35 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.975 HG22 HD11 ' A' ' 107' ' ' ILE . 81.1 m -72.46 -52.93 13.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.925 HD21 HD22 ' A' ' 42' ' ' LEU . 0.9 OUTLIER -58.63 -41.08 85.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.955 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.666 ' HG2' HD11 ' A' ' 48' ' ' LEU . 4.7 mm100 -58.48 -30.62 67.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.956 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -86.73 -43.31 12.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.975 HD11 HG22 ' A' ' 103' ' ' THR . 13.7 mt -63.77 -44.32 98.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.039 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.524 HD11 HD23 ' A' ' 104' ' ' LEU . 16.1 mt -71.47 -30.64 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 17.7 t -82.84 -31.03 28.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 8.5 mtp-105 -71.87 -34.47 69.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.411 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 22.9 m-85 -91.08 10.75 25.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.337 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 8.8 mttm -97.51 -35.17 10.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.873 0.368 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -79.96 -31.4 39.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -60.59 -49.54 77.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 t70 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.867 179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 1.6 t0 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.775 0.322 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.32 -31.11 7.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -89.0 -29.47 19.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -59.3 -50.49 73.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 73.6 m -60.91 -31.24 70.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.667 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.2 OUTLIER -86.06 -22.46 27.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.105 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.6 -28.07 56.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.92 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . 0.58 ' O ' HG23 ' B' ' 464' ' ' THR . 0.1 OUTLIER -64.75 -46.48 82.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.961 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.667 HG22 ' O ' ' B' ' 458' ' ' TRP . 11.5 tt -56.86 -25.06 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.291 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.45 ' CD2' HG23 ' B' ' 461' ' ' ILE . 40.1 m-85 -100.46 -30.56 11.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.889 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -75.24 -31.44 60.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.901 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.58 HG23 ' O ' ' B' ' 460' ' ' TYR . 80.9 p -75.7 107.45 7.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 63.7 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo . . . . . 0 N--CA 1.489 1.245 0 CA-C-O 120.813 0.255 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -133.58 79.17 1.81 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 60.2 77.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 74.7 p -176.85 140.99 0.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.02 135.61 3.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.539 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.401 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -62.21 101.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.828 0.347 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.672 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -113.61 142.66 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.03 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.714 HG23 ' O ' ' A' ' 12' ' ' VAL . 4.0 mp -107.77 124.92 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.144 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.436 ' HB3' ' CH2' ' A' ' 29' ' ' TRP . 4.7 t80 -124.0 128.87 50.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.454 ' O ' HG23 ' A' ' 12' ' ' VAL . 1.2 tt0 59.62 43.98 15.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.018 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.32 30.39 19.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.048 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 8' ' ' ILE . 57.1 t -122.33 129.67 75.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.987 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -81.29 120.0 24.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.938 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -155.64 170.55 33.57 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 25.3 mm -106.63 136.03 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.797 0.332 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.94 HD11 HD21 ' A' ' 27' ' ' LEU . 1.2 tt -101.1 151.1 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.029 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.73 127.68 19.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.157 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 30.2 mt -97.31 135.53 31.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.088 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -116.96 115.12 24.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -98.6 29.69 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.956 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.95 -31.98 63.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.787 HG22 ' HD2' ' A' ' 24' ' ' PRO . 7.8 p -120.17 151.79 22.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.527 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -46.46 -59.63 4.76 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.761 -179.329 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.787 ' HD2' HG22 ' A' ' 22' ' ' VAL . 33.3 Cg_exo -57.74 -18.45 33.82 Favored 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.359 2.04 . . . . 0.0 112.533 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.478 ' O ' HG13 ' A' ' 41' ' ' VAL . . . 68.37 174.94 0.28 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.742 0.306 . . . . 0.0 110.848 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.493 ' OE1' HG22 ' A' ' 41' ' ' VAL . 0.0 OUTLIER -153.45 132.96 12.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.875 0.369 . . . . 0.0 111.193 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.94 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -114.76 107.96 16.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.432 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.481 ' HA ' HG23 ' A' ' 39' ' ' THR . 2.0 m -98.14 136.87 37.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.107 -179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.695 ' O ' HG23 ' A' ' 37' ' ' VAL . 70.2 t90 -129.26 107.49 9.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.687 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.9 ptt180 -107.98 140.38 41.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.7 p -58.17 157.31 8.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.938 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -59.21 -31.1 68.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.9 -61.56 1.47 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 137.61 62.59 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.455 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -132.1 -60.29 0.91 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.841 0.353 . . . . 0.0 110.956 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -102.15 136.29 42.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.006 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.9 p -148.75 139.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.071 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -137.88 144.78 41.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.918 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.481 HG23 ' HA ' ' A' ' 28' ' ' THR . 0.2 OUTLIER -127.93 138.77 52.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.41 HG12 HD22 ' A' ' 27' ' ' LEU . 10.6 p -142.14 130.23 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.106 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.874 ' O ' HG22 ' A' ' 44' ' ' THR . 28.1 t -68.24 118.78 12.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.07 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.518 HD22 ' HG ' ' A' ' 104' ' ' LEU . 66.7 mt -58.29 -23.7 57.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.198 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.609 ' H ' HG12 ' A' ' 41' ' ' VAL . 1.1 t -56.86 -31.62 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.141 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.874 HG22 ' O ' ' A' ' 41' ' ' VAL . 15.0 t -66.3 -29.18 69.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.004 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.605 HD12 ' HB3' ' A' ' 62' ' ' LEU . 42.3 mm -59.9 151.09 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.145 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -124.87 -49.94 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -130.04 162.49 28.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.585 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.853 HD11 HD12 ' A' ' 108' ' ' ILE . 5.5 mp -123.16 141.94 51.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -152.61 130.9 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.69 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -138.9 167.23 22.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.139 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.48 HG22 HG12 ' B' ' 461' ' ' ILE . 14.3 p -75.56 154.18 85.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.803 ' HD3' HG23 ' B' ' 465' ' ' THR . 49.0 Cg_endo -68.81 160.54 49.24 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.571 2.18 . . . . 0.0 112.301 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -30.55 68.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.36 -31.54 72.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 25.6 p -61.86 142.63 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -80.81 -51.87 8.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.3 tttp -76.28 93.24 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -69.65 113.33 6.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 22.5 mtm -147.27 165.76 29.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.69 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 0.4 OUTLIER -136.53 164.5 28.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.966 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.482 ' N ' HD23 ' A' ' 60' ' ' LEU . 13.8 ttp85 -145.78 112.49 5.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.609 HD12 ' HE2' ' A' ' 89' ' ' PHE . 6.8 mt -92.85 142.02 27.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.793 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.426 HD12 ' HG2' ' A' ' 86' ' ' ARG . 6.3 mm -115.5 107.39 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.077 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -68.3 169.22 40.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.557 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -84.56 149.29 26.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.911 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.5 m -103.43 159.22 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -140.45 109.01 5.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -93.79 -31.12 14.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.5 m -81.04 -31.35 34.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -92.77 -61.35 1.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.984 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.43 117.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 ttm-85 -79.81 133.51 36.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -106.61 83.61 1.88 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.5 p30 -130.81 34.15 4.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -106.12 -48.37 3.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -176.29 -59.05 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -167.25 61.93 0.21 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -176.63 128.4 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -76.09 102.62 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 ' N ' ' A' ' 81' ' ' VAL . 11.1 p -138.46 155.55 28.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.627 ' O ' HG13 ' A' ' 81' ' ' VAL . 9.9 p -93.76 105.28 15.9 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -72.17 61.69 3.3 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.461 2.107 . . . . 0.0 112.325 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 15.7 mmtt 59.93 160.4 0.1 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -68.53 138.31 41.67 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.593 2.195 . . . . 0.0 112.282 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -60.0 127.98 34.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.426 ' HG2' HD12 ' A' ' 63' ' ' ILE . 87.8 mtt180 -148.92 99.52 2.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -115.4 154.5 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.436 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.0 ppp? -136.32 150.06 48.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.978 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.609 ' HE2' HD12 ' A' ' 62' ' ' LEU . 74.0 m-85 -136.16 126.0 25.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.785 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.437 ' O ' HD12 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -82.13 153.13 26.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.967 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.672 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 14.5 m-85 -143.51 166.62 24.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -130.7 34.33 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.453 ' ND2' HG22 ' A' ' 95' ' ' THR . 0.1 OUTLIER -167.41 128.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -68.59 -40.97 80.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.453 HG22 ' ND2' ' A' ' 93' ' ' ASN . 2.0 t -67.25 -39.61 86.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 37.3 t -73.58 -38.85 52.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.018 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 39.7 ttp -71.84 -33.64 68.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.19 -31.72 71.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -66.28 -37.54 85.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.643 HG22 HD13 ' A' ' 104' ' ' LEU . 30.4 mm -68.79 -54.04 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 ttmm -58.79 -42.1 88.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.929 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 9.4 ttp -64.95 -44.48 89.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.888 HG22 HD11 ' A' ' 107' ' ' ILE . 84.4 m -65.63 -48.82 70.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.762 ' HA ' HD12 ' A' ' 107' ' ' ILE . 4.8 mp -60.14 -41.85 93.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.662 ' HG2' HD13 ' A' ' 48' ' ' LEU . 15.0 mt-30 -59.41 -30.8 68.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -81.16 -40.67 23.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.888 HD11 HG22 ' A' ' 103' ' ' THR . 7.1 mt -64.42 -42.77 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.853 HD12 HD11 ' A' ' 48' ' ' LEU . 17.0 mt -72.51 -40.59 63.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.083 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.3 m -69.87 -31.51 69.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 6.9 mtp85 -66.55 -31.68 72.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.495 ' CE2' HG22 ' A' ' 107' ' ' ILE . 4.8 m-85 -97.72 9.16 43.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.367 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -98.48 -31.68 11.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.805 0.336 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -99.92 -31.64 11.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -101.92 -47.18 4.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.226 -0.893 . . . . 0.0 110.942 -179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 3.0 t0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.81 0.338 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -174.46 -41.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -71.98 -30.84 65.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -60.33 -51.75 68.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 21.1 p -70.5 -31.85 69.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.473 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -60.37 -31.97 70.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.73 -33.83 69.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.085 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.02 -44.07 70.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.125 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.48 HG12 HG22 ' A' ' 51' ' ' THR . 10.4 tt -64.02 -26.0 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.425 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.437 ' CD2' ' HD3' ' A' ' 61' ' ' ARG . 28.8 m-85 -99.29 -28.71 13.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.236 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -85.48 -41.07 15.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.854 0.359 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 5.8 m -90.8 119.38 30.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . 0.803 HG23 ' HD3' ' A' ' 52' ' ' PRO . 63.3 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.171 0 CA-C-O 120.831 0.263 . . . . 0.0 111.739 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.81 36.93 2.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.447 ' CG ' HG21 ' A' ' 103' ' ' THR . 14.8 m-70 -94.69 94.13 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.9 m -163.57 163.57 24.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.425 ' HA3' HG13 ' A' ' 96' ' ' VAL . . . -173.92 156.92 24.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.511 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.45 107.25 0.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.35 . . . . 0.0 111.157 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.787 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -127.39 156.29 42.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.005 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.78 HG23 ' O ' ' A' ' 12' ' ' VAL . 26.1 mt -130.64 115.69 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.127 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.482 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 9.5 t80 -117.13 139.44 50.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 60.98 30.91 19.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.95 37.83 9.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.034 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 8' ' ' ILE . 55.7 t -128.37 129.37 69.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.036 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.426 ' C ' HG23 ' A' ' 32' ' ' THR . 10.2 m -75.35 121.69 22.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.84 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.06 -177.23 34.93 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.57 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.0 mm -112.74 128.12 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.874 0.369 . . . . 0.0 111.14 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.898 HG12 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.12 125.79 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -134.59 136.95 43.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.536 HG21 HD11 ' A' ' 107' ' ' ILE . 29.1 mt -89.18 135.03 26.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.218 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -107.55 112.22 24.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.815 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -104.98 26.52 9.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.05 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -97.78 22.66 8.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.908 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.896 HG22 ' HD2' ' A' ' 24' ' ' PRO . 9.6 p -154.23 146.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.595 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.5 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -44.29 -69.57 0.22 Allowed Pre-proline 0 CA--C 1.531 0.248 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.892 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.896 ' HD2' HG22 ' A' ' 22' ' ' VAL . 56.6 Cg_endo -69.75 89.71 0.52 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.119 1.88 . . . . 0.0 111.469 179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -41.07 118.97 1.08 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.732 -179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -121.7 147.57 45.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.094 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.898 HD21 HG12 ' A' ' 16' ' ' ILE . 7.3 tt -111.79 130.2 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.753 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -99.04 149.79 22.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.009 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.686 ' O ' HG23 ' A' ' 37' ' ' VAL . 29.1 t90 -142.53 112.28 6.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.729 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -115.6 132.35 56.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.9 p -58.1 154.67 12.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' C ' ' A' ' 13' ' ' SER . 43.6 p -57.64 -48.49 79.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.96 -31.62 72.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 91.21 44.08 4.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -115.58 -38.78 3.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.843 0.354 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.19 135.97 54.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.8 p -148.05 127.11 3.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -127.7 150.57 49.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.04 147.77 36.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.983 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.576 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.8 p -135.8 112.64 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.486 ' HB ' HG23 ' A' ' 44' ' ' THR . 21.3 t -64.72 104.28 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.143 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.06 HD22 HD21 ' A' ' 104' ' ' LEU . 48.6 mt -60.39 -28.04 67.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.952 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.5 m -56.57 -30.48 63.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.486 HG23 ' HB ' ' A' ' 41' ' ' VAL . 43.8 p -68.81 -28.76 67.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.938 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.42 HG22 ' N ' ' A' ' 46' ' ' ASP . 37.4 mm -61.48 154.55 4.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.081 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.42 ' N ' HG22 ' A' ' 45' ' ' ILE . 17.1 t0 -119.59 -49.76 2.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.1 ttpt -130.06 158.81 38.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.577 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.82 HD13 ' HG3' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -108.44 140.87 41.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -143.53 143.65 31.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.936 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -151.47 162.34 41.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.45 HG22 HG12 ' B' ' 461' ' ' ILE . 16.3 p -69.15 154.07 95.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.916 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.7 161.81 44.46 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.587 2.192 . . . . 0.0 112.303 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.03 -30.74 70.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.089 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -66.38 -32.03 73.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -62.86 123.16 17.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -60.01 -32.17 70.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.75 110.31 22.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.7 mtm -86.43 118.35 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 4.0 mtm -141.89 162.71 34.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 50' ' ' ALA . 13.8 tp -129.62 147.31 51.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.417 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 20.2 ttt180 -145.85 133.18 20.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.928 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.634 HD22 ' N ' ' A' ' 62' ' ' LEU . 2.1 mm? -104.1 142.51 34.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.575 HD12 ' HG2' ' A' ' 86' ' ' ARG . 23.7 mm -107.24 99.91 9.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.96 172.74 6.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -59.85 -177.97 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.821 0.344 . . . . 0.0 110.865 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.902 HG21 HG11 ' A' ' 80' ' ' VAL . 12.6 p -110.48 151.54 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -66.14 80.56 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -59.06 -31.46 68.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.984 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.7 t -62.52 -31.27 72.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mmtm -79.98 -74.49 0.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.7 mptt -132.58 145.43 51.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.6 ptt-85 -154.59 107.09 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.784 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 ptmt 43.32 92.07 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.384 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -87.28 110.23 20.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 54.84 26.18 7.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 54.65 24.19 5.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -95.85 -20.7 25.55 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -163.14 115.9 1.56 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.825 0.345 . . . . 0.0 110.677 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -55.57 90.25 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.065 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.902 HG11 HG21 ' A' ' 66' ' ' VAL . 11.4 t 64.18 131.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.966 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.453 ' HB ' ' HD3' ' A' ' 82' ' ' PRO . 2.4 t -87.76 -48.64 0.45 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.448 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.584 ' HD2' HG12 ' A' ' 80' ' ' VAL . 25.3 Cg_exo -63.27 -156.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.394 2.063 . . . . 0.0 112.097 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.03 144.13 39.79 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.36 -168.11 0.5 Allowed 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.542 2.161 . . . . 0.0 112.293 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -91.84 154.28 18.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.575 ' HG2' HD12 ' A' ' 63' ' ' ILE . 84.5 mtt180 -144.14 123.38 12.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.952 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -115.01 117.29 30.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.426 ' HE1' ' HE1' ' B' ' 458' ' ' TRP . 5.0 ppp? -101.52 149.46 24.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.482 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 64.2 m-85 -131.63 154.06 49.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -101.92 128.93 48.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -127.28 170.53 12.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -141.54 31.39 1.68 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.589 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.3 m120 -169.91 123.72 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -37.46 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 13.1 m -61.41 -33.06 73.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.941 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.589 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.4 t -74.12 -50.93 25.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.2 tmm? -60.38 -32.71 71.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -63.31 -36.89 85.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -72.76 -39.77 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.903 HG22 HD12 ' A' ' 104' ' ' LEU . 29.8 mm -69.69 -54.83 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.076 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.446 ' HB2' HD13 ' A' ' 60' ' ' LEU . 12.4 ttmt -57.97 -49.06 78.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.012 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 8.7 ttp -59.61 -50.95 71.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.447 HG21 ' CG ' ' A' ' 3' ' ' HIS . 86.2 m -62.63 -41.48 99.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 1.06 HD21 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -59.34 -40.54 86.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.82 ' HG3' HD13 ' A' ' 48' ' ' LEU . 23.4 mt-30 -61.09 -31.07 70.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.948 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -72.32 -31.21 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.536 HD11 HG21 ' A' ' 18' ' ' ILE . 34.4 mt -74.12 -34.93 39.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.168 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.748 HD12 HD12 ' A' ' 48' ' ' LEU . 27.1 mt -77.28 -41.12 30.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.137 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 p -67.76 -31.4 71.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.935 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -71.56 -32.13 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.4 ' CD2' ' O ' ' A' ' 107' ' ' ILE . 23.3 m-85 -91.87 11.25 25.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.305 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -94.23 -34.31 12.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.822 0.344 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.43 11.46 12.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.329 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -149.71 36.82 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.81 0.338 . . . . 0.0 111.095 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.3 t0 . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.296 -0.859 . . . . 0.0 110.884 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.797 0.332 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -114.55 11.57 17.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.303 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -91.29 9.48 31.24 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.323 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.51 -52.01 67.02 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.865 0.364 . . . . 0.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.08 -31.32 19.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.863 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.518 ' O ' HG22 ' B' ' 461' ' ' ILE . 0.0 OUTLIER -59.83 -30.8 69.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.866 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -67.22 -38.81 85.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -59.99 -51.33 70.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.518 HG22 ' O ' ' B' ' 458' ' ' TRP . 11.4 tt -60.88 -29.33 45.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 41.8 m-85 -103.89 12.1 34.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.351 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.0 2.35 43.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.363 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 33.1 m -71.09 128.82 37.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.81 0.338 . . . . 0.0 110.939 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_endo . . . . . 0 N--CA 1.488 1.17 0 CA-C-O 120.82 0.258 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.486 ' HG ' ' CE1' ' A' ' 3' ' ' HIS . 16.2 t -155.1 123.54 5.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.486 ' CE1' ' HG ' ' A' ' 2' ' ' SER . 26.2 m80 59.79 39.98 20.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 95.0 p -156.74 141.47 16.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.53 164.0 36.76 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.541 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.97 146.39 42.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.57 123.85 5.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.121 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.628 ' N ' HD12 ' A' ' 8' ' ' ILE . 2.4 mp -109.98 129.31 65.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.99 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' LYS . 5.8 t80 -103.04 101.75 11.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.076 0.465 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.49 ' O ' ' CB ' ' A' ' 11' ' ' LYS . 8.3 pt-20 40.16 22.0 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 113.377 0.881 . . . . 0.0 113.377 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' CB ' ' O ' ' A' ' 10' ' ' GLU . 6.0 mttt 158.58 -62.49 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 8' ' ' ILE . 39.7 t -69.73 132.2 33.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.6 -178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -110.1 114.67 28.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -136.5 -169.58 11.76 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.576 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 21.2 mm -108.66 130.36 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.8 0.334 . . . . 0.0 111.04 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.927 HD11 HD21 ' A' ' 27' ' ' LEU . 0.9 OUTLIER -101.01 151.2 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.096 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.71 126.15 17.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.559 HG23 HD11 ' A' ' 42' ' ' LEU . 29.7 mt -101.24 134.31 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.063 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -104.11 97.86 7.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.83 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' A' ' 103' ' ' THR . 4.2 mt-10 -82.44 -22.63 35.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -52.52 -30.0 28.05 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.083 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.823 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.2 p -93.89 146.66 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.469 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.5 m -56.42 -66.08 1.32 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.663 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.823 ' HD2' HG22 ' A' ' 22' ' ' VAL . 23.2 Cg_endo -61.56 -14.31 34.71 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.503 2.135 . . . . 0.0 112.77 -179.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.55 ' HA ' HG13 ' A' ' 22' ' ' VAL . . . 63.76 154.34 0.05 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.756 0.313 . . . . 0.0 111.019 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -144.88 137.34 26.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.166 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.927 HD21 HD11 ' A' ' 16' ' ' ILE . 6.6 tt -114.06 107.94 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.529 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.5 m -100.93 135.91 41.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.074 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.754 ' O ' HG23 ' A' ' 37' ' ' VAL . 60.1 t90 -123.65 110.78 15.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.739 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.0 mtm105 -106.52 138.5 42.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.54 144.3 57.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.8 m -60.12 -48.7 80.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -148.45 83.79 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -174.41 -127.77 1.03 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.452 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -160.18 31.23 0.17 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.831 0.348 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.74 118.91 34.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.754 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.0 p -141.22 137.84 33.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -130.52 148.44 52.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.6 m -127.93 132.16 49.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.5 p -142.11 122.45 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.148 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.719 ' HB ' HG23 ' A' ' 44' ' ' THR . 25.5 t -60.33 126.54 18.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.092 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.601 HD22 ' CG ' ' A' ' 104' ' ' LEU . 84.9 mt -65.17 -31.21 72.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.492 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -57.01 -28.6 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.939 179.916 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.719 HG23 ' HB ' ' A' ' 41' ' ' VAL . 30.8 p -64.92 -28.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.99 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.413 HG13 HD21 ' A' ' 104' ' ' LEU . 40.7 mm -57.82 152.32 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.086 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -122.5 -40.61 2.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.5 mtmt -130.03 169.92 14.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.004 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.679 HD23 HD23 ' A' ' 62' ' ' LEU . 24.9 mt -135.45 112.93 10.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.8 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.58 131.12 43.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -146.13 167.25 23.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.077 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.749 HG22 ' O ' ' B' ' 461' ' ' ILE . 12.4 p -83.2 147.21 53.08 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 59.5 Cg_endo -72.44 165.53 32.41 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.542 2.161 . . . . 0.0 112.291 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.88 -29.77 67.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.157 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.4 m -66.44 -31.28 71.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 76.8 p -60.04 153.27 21.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -79.74 -40.47 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 tttt -95.57 103.14 15.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.4 mtp -80.36 113.38 18.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.572 ' O ' HG23 ' A' ' 51' ' ' THR . 51.5 mtm -151.53 163.44 39.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.625 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 7.5 tt -133.36 159.29 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.552 ' N ' HD23 ' A' ' 60' ' ' LEU . 1.6 ttt180 -145.83 135.76 23.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD23 HD23 ' A' ' 48' ' ' LEU . 6.2 mt -113.85 142.54 45.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.787 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.749 HD12 ' HG2' ' A' ' 86' ' ' ARG . 11.1 mm -113.36 120.52 63.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -82.39 164.04 43.35 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.1 mptp? -60.28 168.13 2.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.819 0.342 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 67' ' ' ASP . 11.1 p -131.41 158.16 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.07 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.488 ' N ' HG22 ' A' ' 66' ' ' VAL . 5.9 m-20 -132.14 105.77 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -129.12 104.22 7.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.1 t -157.9 -70.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -43.6 17.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 mttp 62.11 111.18 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -127.37 -165.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.812 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.607 ' HB3' HG12 ' A' ' 80' ' ' VAL . 17.5 mmtt 62.91 83.95 0.15 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -176.92 108.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 61.35 60.23 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.947 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -178.07 -71.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 78' ' ' ASN . . . -132.04 104.91 0.58 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.421 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 77' ' ' GLY . 8.5 p30 45.34 102.4 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.063 0.459 . . . . 0.0 111.684 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 76.7 mt-10 -64.63 122.5 16.98 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.934 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.607 HG12 ' HB3' ' A' ' 73' ' ' LYS . 10.4 p -160.25 158.13 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.033 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.476 ' N ' HG22 ' A' ' 80' ' ' VAL . 31.2 t -120.32 136.24 25.04 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.016 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD2' HG13 ' A' ' 81' ' ' VAL . 74.1 Cg_endo -75.3 60.52 5.68 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.469 2.113 . . . . 0.0 112.33 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 43.7 mttm -77.37 162.78 67.79 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.68 138.0 40.27 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.528 2.152 . . . . 0.0 112.231 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -87.48 108.78 19.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.749 ' HG2' HD12 ' A' ' 63' ' ' ILE . 33.3 mtm180 -109.44 110.88 22.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.779 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.3 m-70 -101.77 129.89 48.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.986 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.44 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.3 ptm -110.47 114.69 28.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -110.41 136.48 49.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.5 m -91.71 158.02 16.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.42 ' CE2' HG13 ' A' ' 100' ' ' ILE . 35.2 m-85 -140.67 170.85 14.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 75.6 m-20 -134.22 34.19 3.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.419 ' HB3' HG23 ' A' ' 96' ' ' VAL . 1.1 t30 -169.55 124.59 0.82 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -34.05 77.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -74.72 -37.27 62.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.419 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.3 t -79.79 -46.5 22.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.418 ' HA ' ' CD2' ' A' ' 91' ' ' PHE . 27.1 ttp -59.99 -32.13 70.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -82.64 -31.62 28.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 43.7 t-20 -60.8 -26.77 67.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.014 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.42 HG13 ' CE2' ' A' ' 91' ' ' PHE . 35.1 mm -74.41 -51.65 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.97 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.6 ttmt -59.02 -47.19 86.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.067 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 3.9 ptt? -58.12 -28.57 64.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.996 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.433 HG23 ' OE2' ' A' ' 20' ' ' GLU . 64.5 m -82.35 -31.27 29.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.817 ' CD2' HD11 ' A' ' 108' ' ' ILE . 0.2 OUTLIER -79.9 -42.21 24.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -57.98 -29.14 65.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.038 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -44.83 20.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.996 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 13.7 mt -64.57 -42.38 94.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.817 HD11 ' CD2' ' A' ' 104' ' ' LEU . 21.1 mt -72.46 -42.44 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.075 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 67.8 m -68.7 -31.93 71.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.925 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.545 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 8.6 mtp85 -70.41 -30.96 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -104.9 9.95 34.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.368 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -80.56 -52.78 7.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.804 0.335 . . . . 0.0 110.925 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -119.74 -42.3 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 110' ' ' ARG . . . -60.98 -31.68 71.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.107 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.897 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.899 0.38 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . 0.562 HD21 ' CZ2' ' B' ' 458' ' ' TRP . 3.3 tp 68.01 11.7 8.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.433 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.82 -60.64 1.81 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.844 0.354 . . . . 0.0 110.93 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -66.26 -31.26 71.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 1.3 m -68.96 -47.34 65.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.712 ' CE3' HD12 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -53.93 -28.1 35.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.078 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -69.4 -21.72 63.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.283 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 54.6 m-85 -100.02 1.71 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.62 -0.264 . . . . 0.0 111.626 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.749 ' O ' HG22 ' A' ' 51' ' ' THR . 41.3 mt -100.13 -33.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.791 0.329 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.4 m-85 -109.75 8.08 24.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.569 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -100.12 -38.08 8.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.832 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.695 ' O ' HG23 ' B' ' 465' ' ' THR . 5.5 p -60.5 92.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . 0.695 HG23 ' O ' ' B' ' 464' ' ' THR . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.857 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.836 0.265 . . . . 0.0 111.717 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 p -174.76 -177.3 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 m80 60.4 39.87 18.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.867 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.9 p -167.48 -178.44 3.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 155.57 160.75 10.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.87 135.83 57.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.822 0.344 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.863 ' CB ' HD12 ' A' ' 16' ' ' ILE . . . -153.26 129.27 10.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.131 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.695 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -102.79 120.54 52.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.071 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CD1' ' CE1' ' A' ' 89' ' ' PHE . 7.2 t80 -102.92 114.69 29.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.357 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 73.88 -45.92 0.61 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.529 -179.5 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -179.46 -32.11 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.665 0.269 . . . . 0.0 111.419 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.695 ' O ' HG23 ' A' ' 8' ' ' ILE . 43.8 t -69.25 133.84 31.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.86 0.362 . . . . 0.0 111.239 -179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -93.05 116.68 29.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -140.3 -171.41 12.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.54 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.5 mm -108.74 124.56 65.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 111.078 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.863 HD12 ' CB ' ' A' ' 7' ' ' ALA . 0.1 OUTLIER -101.0 129.47 51.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -136.07 121.86 19.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.027 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.604 HG23 ' CD1' ' A' ' 42' ' ' LEU . 27.7 mt -89.19 135.17 26.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.163 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -112.95 111.34 22.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -100.34 29.91 4.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.968 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 29.5 p-10 -85.71 -34.48 21.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.81 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.899 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.0 p -98.58 148.03 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.467 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.8 m -49.58 -65.35 0.86 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.712 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.899 ' HD2' HG22 ' A' ' 22' ' ' VAL . 18.2 Cg_endo -59.1 -18.22 42.57 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.563 2.176 . . . . 0.0 112.605 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.68 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 60.97 156.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.76 0.314 . . . . 0.0 111.004 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.04 141.36 13.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.02 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.854 HD21 HG12 ' A' ' 16' ' ' ILE . 6.5 tt -106.54 118.55 36.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.666 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -97.85 120.32 38.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.971 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.44 ' CH2' ' HB3' ' A' ' 9' ' ' PHE . 35.8 t90 -113.73 109.86 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.583 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.649 ' HG2' HG12 ' A' ' 37' ' ' VAL . 30.5 mtp180 -100.15 144.64 28.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.961 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.2 t -75.51 142.22 42.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.0 m -69.03 -40.61 78.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -98.32 -71.89 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.09 -171.7 0.4 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.554 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.0 t0 -130.71 71.21 1.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.879 0.371 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.72 125.73 19.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.79 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.649 HG12 ' HG2' ' A' ' 30' ' ' ARG . 33.3 m -108.69 149.88 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.213 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -127.64 110.59 12.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.42 118.81 27.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.962 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.6 p -125.69 109.67 22.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.2 t -59.81 123.25 11.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.605 HD22 HD21 ' A' ' 104' ' ' LEU . 96.0 mt -80.38 -27.2 38.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.043 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.9 m -56.48 -32.49 65.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.8 p -63.44 -29.88 71.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.854 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.3 mm -60.9 152.64 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -121.43 -46.2 2.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 tttm -130.01 157.57 41.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.64 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.774 HD11 HD12 ' A' ' 108' ' ' ILE . 4.5 mp -108.34 139.48 42.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.784 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -140.86 141.97 34.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.985 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.808 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -157.05 166.91 31.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.548 HG22 HG12 ' B' ' 461' ' ' ILE . 19.0 p -70.35 149.45 95.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.44 156.72 60.96 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.593 2.195 . . . . 0.0 112.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.64 -34.34 75.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.4 m -66.38 -31.79 72.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.5 t -73.87 125.18 27.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.55 -31.09 70.21 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.587 ' HB3' HD11 ' B' ' 461' ' ' ILE . 0.7 OUTLIER -77.68 117.06 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.911 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 23.5 mtm -106.25 116.57 32.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 48.4 mtm -151.55 147.92 27.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.978 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.808 HD12 ' HB2' ' A' ' 50' ' ' ALA . 7.8 tp -112.32 132.61 54.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -135.36 124.41 24.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.5 OUTLIER -102.9 142.53 33.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.4 mm -102.24 130.49 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -79.48 165.08 49.73 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.53 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.6 mttp -77.47 128.52 34.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.799 0.333 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 p -78.94 148.33 6.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 -133.49 96.69 3.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -71.26 -75.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 1.2 t -77.51 70.32 3.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 6.5 mmmt -151.55 -59.43 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp 60.31 104.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.461 ' O ' HG22 ' A' ' 80' ' ' VAL . 25.3 ttm180 -85.69 162.96 18.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.921 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -127.87 103.46 7.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -60.02 -36.71 77.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -173.67 36.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 60.49 170.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 96.58 -28.6 12.7 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -177.03 105.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.795 0.331 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -60.22 155.87 16.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 72' ' ' ARG . 17.0 m -96.64 137.58 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG13 ' HG2' ' A' ' 83' ' ' LYS . 10.4 p -73.96 138.27 76.21 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.04 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.416 ' HD2' HG23 ' A' ' 81' ' ' VAL . 12.0 Cg_exo -39.87 88.93 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.569 0 C-N-CA 123.463 2.775 . . . . 0.0 113.123 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.44 ' HG2' HG13 ' A' ' 81' ' ' VAL . 9.1 mmmt -110.52 96.5 27.81 Favored Pre-proline 0 C--N 1.316 -0.886 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.826 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_exo -49.41 125.54 14.0 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.506 2.137 . . . . 0.0 112.426 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -69.16 143.01 54.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 67.8 mtt-85 -148.28 93.9 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.765 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 -101.8 129.37 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.432 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 0.2 OUTLIER -112.18 149.91 31.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.462 ' CE1' ' CD1' ' A' ' 9' ' ' PHE . 98.0 m-85 -128.72 152.22 48.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.95 138.53 36.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -134.39 159.47 40.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -134.39 34.29 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.1 m120 -162.92 113.28 1.42 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 2.1 ttp85 -64.4 -31.78 73.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.5 m -68.24 -38.7 82.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.523 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.7 t -77.15 -33.12 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.099 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 5.9 mmm -60.43 -35.53 76.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -65.93 -41.49 91.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -60.55 -46.02 91.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 36.9 mm -65.87 -54.63 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.029 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.461 ' HB2' HD11 ' A' ' 60' ' ' LEU . 13.0 ttmt -60.24 -32.32 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.796 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.5 ttm -75.35 -43.79 48.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 86.6 m -61.98 -47.51 84.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.606 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 mp -59.61 -44.49 93.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.607 ' HG3' HD22 ' A' ' 48' ' ' LEU . 48.7 mt-30 -58.5 -30.1 66.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -38.89 52.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.942 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 22.7 mt -74.02 -41.97 52.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.774 HD12 HD11 ' A' ' 48' ' ' LEU . 13.3 mt -71.28 -43.13 74.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.043 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.9 m -63.56 -35.11 79.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 3.2 mmp_? -68.12 -31.46 71.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -98.75 10.96 40.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.357 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.8 mttm -79.65 -43.62 22.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.84 0.353 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -91.68 11.37 24.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.297 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 56.19 37.13 28.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.87 0.367 . . . . 0.0 111.213 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 2.6 tp -108.03 -29.34 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.961 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -57.84 -31.46 66.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -63.11 -31.65 72.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 3.8 t -89.46 -29.1 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -57.65 -28.93 64.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.041 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -90.07 -27.96 19.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -93.34 -1.17 56.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.514 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.587 HD11 ' HB3' ' A' ' 57' ' ' LYS . 12.6 tt -99.56 -39.9 8.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.838 0.351 . . . . 0.0 111.176 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.432 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.1 m-85 -88.16 -31.99 18.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.18 -40.82 90.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 24.0 m -62.29 140.77 58.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 42.9 p . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo . . . . . 0 N--CA 1.489 1.208 0 CA-C-O 120.931 0.305 . . . . 0.0 111.745 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -157.89 32.91 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.6 m80 59.87 39.7 20.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -164.62 166.02 20.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 172.75 161.75 23.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.498 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.474 ' H ' HG11 ' A' ' 96' ' ' VAL . . . -59.81 138.49 57.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 111.103 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.82 127.01 5.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.679 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.9 mp -102.09 124.13 55.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.181 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.47 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 12.6 t80 -127.54 131.46 50.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.785 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 63.34 37.03 11.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp 62.54 36.39 13.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.679 ' O ' HG23 ' A' ' 8' ' ' ILE . 44.3 t -132.84 134.07 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.071 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.488 ' O ' HG22 ' A' ' 32' ' ' THR . 0.7 OUTLIER -82.19 127.61 33.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.968 -179.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.22 170.81 37.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.447 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.0 mm -105.56 135.46 43.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.809 0.338 . . . . 0.0 110.976 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.105 HD11 HD21 ' A' ' 27' ' ' LEU . 0.3 OUTLIER -101.06 140.48 19.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.025 -179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -137.93 122.41 18.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.106 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.3 mt -89.19 134.52 28.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.081 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.8 m120 -100.96 113.71 26.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -101.45 27.73 6.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.964 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -93.39 -37.88 11.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.752 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.856 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.5 p -88.33 146.36 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.855 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.486 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.6 m -49.27 -66.75 0.53 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.79 -179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.856 ' HD2' HG22 ' A' ' 22' ' ' VAL . 20.4 Cg_endo -60.66 -16.23 41.99 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.473 2.115 . . . . 0.0 112.785 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.586 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 60.55 160.39 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.743 0.306 . . . . 0.0 110.959 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.92 162.53 39.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 111.206 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.105 HD21 HD11 ' A' ' 16' ' ' ILE . 5.9 tt -119.39 116.94 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.674 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.7 m -97.79 145.86 25.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.913 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.723 ' O ' HG23 ' A' ' 37' ' ' VAL . 53.7 t90 -136.3 110.18 8.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.693 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -108.79 136.35 48.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 7.3 p -59.69 143.81 49.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 13' ' ' SER . 11.9 t -60.36 -46.36 90.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.887 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.483 ' OD1' HG23 ' A' ' 32' ' ' THR . 18.7 p-10 -125.5 -43.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -57.6 -169.82 0.17 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.561 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -122.54 30.32 6.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.941 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -102.3 118.7 37.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.822 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.6 p -133.71 139.16 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -133.47 150.6 51.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.39 145.45 48.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.472 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.2 p -142.1 121.76 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.045 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.881 ' O ' HG22 ' A' ' 44' ' ' THR . 24.6 t -74.37 109.89 7.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.107 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.968 HD22 HD21 ' A' ' 104' ' ' LEU . 34.1 mt -63.58 -22.71 67.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.7 -45.57 74.01 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.027 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.881 HG22 ' O ' ' A' ' 41' ' ' VAL . 11.2 t -61.03 -29.17 69.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 37.9 mm -62.93 153.18 6.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' O ' HG21 ' A' ' 108' ' ' ILE . 9.3 t0 -124.83 -48.13 1.78 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.07 159.62 36.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.538 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.824 HD13 ' HG3' ' A' ' 101' ' ' LYS . 3.4 pp -132.72 152.9 51.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.481 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -149.4 135.73 19.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.545 ' HB2' ' HD3' ' A' ' 101' ' ' LYS . . . -122.9 159.36 28.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.4 p -76.85 160.38 76.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.83 139.15 39.29 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.51 2.14 . . . . 0.0 112.317 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.51 -29.38 67.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.5 m -66.4 -31.17 71.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.7 m -68.21 165.69 17.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -92.47 -45.44 8.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -73.47 86.42 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 50.3 mtm -79.23 114.83 18.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.94 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.491 ' HE3' ' CZ ' ' B' ' 462' ' ' PHE . 47.8 mtm -151.51 165.68 33.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 49' ' ' GLN . 64.5 tp -123.62 156.61 35.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.439 ' HB2' ' CD1' ' B' ' 462' ' ' PHE . 0.6 OUTLIER -144.14 125.61 14.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.629 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.8 OUTLIER -111.55 123.51 50.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 179.817 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.555 HG23 ' HG2' ' A' ' 86' ' ' ARG . 24.6 mm -86.74 134.55 27.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.136 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -73.62 -164.53 9.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.8 mttt -105.99 158.89 16.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.793 0.33 . . . . 0.0 110.943 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 67' ' ' ASP . 28.1 t -103.63 158.4 5.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.104 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.471 ' N ' HG12 ' A' ' 66' ' ' VAL . 0.5 OUTLIER -170.35 125.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.894 -179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -138.91 35.68 2.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 71.6 p -137.74 -61.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -49.42 77.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.563 ' HE3' HG22 ' A' ' 81' ' ' VAL . 11.6 mmmm 60.88 165.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -150.04 -179.64 7.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.1 mtmt -151.29 116.28 5.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -158.74 89.59 0.96 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.94 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -171.16 -76.05 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -177.27 37.89 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.08 72.35 1.1 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -177.22 129.09 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.874 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -81.16 126.23 31.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 t -111.18 142.05 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.041 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.563 HG22 ' HE3' ' A' ' 71' ' ' LYS . 21.7 t -97.38 106.72 34.3 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -39.31 89.27 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.568 0 C-N-CA 123.457 2.771 . . . . 0.0 113.165 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 81' ' ' VAL . 11.6 mttt -72.85 148.99 89.98 Favored Pre-proline 0 C--N 1.315 -0.893 0 CA-C-N 114.334 -1.303 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.77 91.18 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.609 2.206 . . . . 0.0 112.263 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -69.26 145.7 52.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.555 ' HG2' HG23 ' A' ' 63' ' ' ILE . 17.0 mtt180 -152.73 105.11 2.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.958 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 58.2 m-70 -106.69 151.86 24.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.444 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -136.36 149.87 48.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.975 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 84.3 m-85 -127.95 143.74 51.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.829 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -83.71 149.4 26.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.432 ' CE2' HG13 ' A' ' 100' ' ' ILE . 27.0 m-85 -138.57 170.56 15.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -138.29 32.89 2.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -168.97 148.2 4.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 73.3 mtt180 -82.41 -52.38 6.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.3 m -59.75 -48.19 82.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.474 HG11 ' H ' ' A' ' 6' ' ' ALA . 21.8 t -59.57 -58.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.181 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.409 ' HB2' ' CD2' ' A' ' 91' ' ' PHE . 10.6 tmm? -59.82 -31.14 69.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.77 -46.56 78.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.955 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -57.56 -30.9 65.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.993 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.432 HG13 ' CE2' ' A' ' 91' ' ' PHE . 33.3 mm -64.93 -51.65 63.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.037 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.824 ' HG3' HD13 ' A' ' 48' ' ' LEU . 11.4 ttpp -56.61 -42.87 79.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.066 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.86 -42.9 72.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.769 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 65.5 m -67.17 -23.61 65.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.968 HD21 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -83.45 -48.15 10.63 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.137 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.75 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 pp0? -56.19 -28.7 59.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.143 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -71.93 -31.14 66.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.52 HG22 ' CE2' ' A' ' 111' ' ' TYR . 22.4 mt -77.77 -34.16 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.101 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.425 HG21 ' O ' ' A' ' 46' ' ' ASP . 39.5 mt -72.53 -51.44 28.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.066 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 12.7 t -60.49 -31.36 70.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.59 -31.64 72.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.52 ' CE2' HG22 ' A' ' 107' ' ' ILE . 3.9 m-85 -104.79 8.94 35.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.372 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -86.09 -31.61 21.8 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -62.93 -39.39 94.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.31 -69.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 15.3 t0 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.908 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . 0.69 ' O ' HD23 ' B' ' 454' ' ' LEU . 0.9 OUTLIER 68.78 11.64 8.41 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.381 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.74 -36.92 15.87 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -73.19 -30.48 63.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.912 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 2.0 t -58.64 -29.21 66.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.449 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -57.9 -29.18 64.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -78.66 -28.78 45.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . 0.569 ' O ' HG23 ' B' ' 464' ' ' THR . 31.5 t80 -85.7 -40.93 15.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.046 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.449 HG22 ' HA ' ' B' ' 458' ' ' TRP . 10.9 tt -59.19 -30.46 43.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.491 ' CZ ' ' HE3' ' A' ' 59' ' ' MET . 22.1 m-85 -95.95 -29.3 14.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.081 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -31.29 43.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.569 HG23 ' O ' ' B' ' 460' ' ' TYR . 11.4 p -60.36 173.14 0.72 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 -180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.487 1.138 0 CA-C-O 120.823 0.26 . . . . 0.0 111.722 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.5 m -62.2 101.18 0.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -82.25 89.18 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 p -162.29 142.8 10.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.51 146.3 11.73 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.531 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -61.82 108.72 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.87 0.366 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -125.02 129.57 50.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.058 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 12' ' ' VAL . 4.1 mp -99.36 102.56 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.124 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.93 140.09 38.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.41 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.7 mt-10 62.03 32.56 17.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt 62.94 30.49 16.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.974 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.674 ' O ' HG23 ' A' ' 8' ' ' ILE . 39.5 t -126.81 136.53 60.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.979 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.1 p -73.98 121.09 20.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.405 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -159.88 170.86 36.11 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.473 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 20.6 mm -108.87 138.05 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.309 . . . . 0.0 111.128 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.978 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.04 143.97 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.917 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.72 121.87 13.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 28.0 mt -93.05 134.73 29.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.076 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -110.73 120.68 43.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -102.23 29.69 4.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.12 -31.68 30.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.765 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.926 HG22 ' HD2' ' A' ' 24' ' ' PRO . 11.0 p -107.35 148.32 11.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.464 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -48.18 -65.11 0.83 Allowed Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.491 -179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.926 ' HD2' HG22 ' A' ' 22' ' ' VAL . 17.9 Cg_endo -59.2 -17.45 39.12 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.503 2.135 . . . . 0.0 112.582 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.677 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.69 171.7 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.502 -0.317 . . . . 0.0 111.027 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -160.15 148.16 16.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.978 HD21 HD11 ' A' ' 16' ' ' ILE . 7.0 tt -112.36 118.02 34.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.615 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 m -97.79 146.61 25.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.997 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.726 ' O ' HG23 ' A' ' 37' ' ' VAL . 55.0 t90 -140.82 108.68 5.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.751 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -109.32 135.64 50.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.04 143.35 48.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.506 ' H ' ' HG1' ' A' ' 32' ' ' THR . 2.2 p -58.98 -63.75 1.19 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -124.0 31.13 5.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -120.39 -160.93 11.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -132.9 31.09 3.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.78 0.324 . . . . 0.0 110.906 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -118.05 118.81 32.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.932 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.726 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.9 p -131.83 129.39 60.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.087 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -121.41 150.62 41.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.1 m -126.29 127.92 46.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.963 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.542 ' O ' HG13 ' A' ' 40' ' ' VAL . 9.0 p -132.68 114.6 22.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.0 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.656 ' CG1' HG23 ' A' ' 44' ' ' THR . 11.7 p -58.09 130.15 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.061 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.869 HD22 HD11 ' A' ' 104' ' ' LEU . 21.4 mt -72.62 -23.08 60.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.182 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.654 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -58.23 -41.24 83.67 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.128 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.656 HG23 ' CG1' ' A' ' 41' ' ' VAL . 19.7 p -55.22 -24.12 25.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.214 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 42' ' ' LEU . 2.9 mp -82.43 129.6 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.915 0.388 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -107.4 -34.14 7.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.812 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -130.1 154.42 47.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.553 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.667 HD21 ' HB3' ' A' ' 104' ' ' LEU . 4.8 mt -109.82 152.92 25.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.81 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -150.61 155.2 38.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.981 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.609 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -153.7 167.2 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.045 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.5 HG22 HG12 ' B' ' 461' ' ' ILE . 71.9 p -86.05 153.14 56.95 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -69.35 155.96 65.76 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.529 2.152 . . . . 0.0 112.323 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.83 -30.06 70.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 p -66.43 -30.84 71.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.3 m -59.42 133.42 56.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.92 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -62.57 -31.62 72.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' CG ' HD11 ' B' ' 461' ' ' ILE . 0.0 OUTLIER -102.16 117.73 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.902 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 33.2 ttp -94.06 113.41 25.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 43.3 mtm -151.49 157.51 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.044 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.609 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 1.0 OUTLIER -124.41 154.9 39.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.76 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.502 ' NE ' HD11 ' A' ' 63' ' ' ILE . 3.0 ptt180 -145.82 152.12 39.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.106 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -115.56 142.54 46.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.795 179.794 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 86' ' ' ARG . 21.8 mm -102.6 119.33 50.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.117 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -60.04 -172.56 0.69 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 mttt -86.2 -176.88 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.324 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.95 154.27 30.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -171.9 100.72 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -99.19 35.78 1.85 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.926 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.87 33.53 2.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 mtmt -117.88 -74.84 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? 59.6 -176.92 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.6 mmt-85 60.93 -176.03 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -103.86 91.8 4.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -95.8 179.59 5.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.1 t30 60.65 92.43 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.904 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 62.74 -80.02 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.069 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 176.8 102.74 0.16 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.496 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -176.61 115.51 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.832 0.349 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -59.75 97.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.0 p -103.1 146.31 11.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.3 t -84.1 136.12 41.31 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.045 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -71.76 61.85 3.01 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.467 2.111 . . . . 0.0 112.334 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.2 pttt -134.17 157.07 78.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.65 128.57 16.32 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.535 2.156 . . . . 0.0 112.286 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.9 pt20 -81.61 150.26 28.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 7.7 mtt180 -132.65 111.92 11.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -101.81 131.98 47.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.838 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.45 ' HE3' ' HE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -124.29 149.99 45.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 60' ' ' LEU . 7.0 p90 -145.37 146.52 31.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.716 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.434 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -84.02 161.38 20.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 -179.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.408 ' CE1' ' O ' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -154.89 157.84 38.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.778 179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 74.4 m-80 -131.44 34.33 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.931 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.563 ' HB3' HG23 ' A' ' 96' ' ' VAL . 7.9 m120 -150.01 110.74 4.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -61.18 -39.55 90.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.9 m -71.75 -40.07 69.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.563 HG23 ' HB3' ' A' ' 93' ' ' ASN . 25.2 t -74.65 -32.44 29.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.083 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.9 mmm -59.43 -33.93 71.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -85.4 -30.41 23.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . 0.41 ' HA ' ' HG2' ' A' ' 102' ' ' MET . 3.4 m120 -60.11 -29.41 68.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 32.2 mm -77.07 -50.78 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.74 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.55 ' HD3' HD21 ' A' ' 60' ' ' LEU . 10.5 ttpp -64.91 -44.48 89.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.41 ' HG2' ' HA ' ' A' ' 99' ' ' ASN . 0.0 OUTLIER -60.55 -31.67 70.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.759 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 92.6 m -82.82 -32.94 27.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.734 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.869 HD11 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -73.57 -39.29 64.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.869 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -59.25 -30.3 68.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.991 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -75.15 -35.99 61.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.004 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 104' ' ' LEU . 25.3 mt -71.02 -37.97 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.762 HG22 ' HG3' ' A' ' 112' ' ' LYS . 19.6 mt -74.82 -44.83 45.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 7.3 t -59.51 -40.05 85.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -62.44 -45.23 94.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' O ' ' A' ' 23' ' ' SER . 3.2 m-85 -90.48 8.85 31.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.362 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.762 ' HG3' HG22 ' A' ' 108' ' ' ILE . 0.3 OUTLIER -96.78 -45.17 6.77 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 110.871 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -76.44 -31.49 57.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.83 -33.16 73.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 2.8 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.252 -0.88 . . . . 0.0 111.404 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.84 0.352 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 18.6 mt -82.95 -31.75 27.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -78.48 -34.34 47.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.46 -31.42 69.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 3.6 m -59.85 -29.25 68.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.416 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -58.36 -27.57 64.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.039 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -81.68 -28.79 33.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.015 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . 0.865 ' O ' HG22 ' B' ' 464' ' ' THR . 3.2 m-85 -87.28 -38.39 16.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.072 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.5 HG12 HG22 ' A' ' 51' ' ' THR . 11.1 tt -58.11 -33.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.451 ' CE1' HG23 ' A' ' 51' ' ' THR . 26.6 m-85 -93.59 -31.11 14.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -66.45 -55.7 14.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.865 HG22 ' O ' ' B' ' 460' ' ' TYR . 9.7 t -86.89 137.76 32.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . 0.556 HG22 ' O ' ' B' ' 465' ' ' THR . 25.5 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo . . . . . 0 N--CA 1.489 1.235 0 CA-C-O 120.791 0.246 . . . . 0.0 111.778 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 t -95.06 -31.05 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.935 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -98.59 84.62 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.5 p -176.28 161.5 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.687 ' HA3' HD11 ' A' ' 100' ' ' ILE . . . -168.21 150.46 16.36 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.539 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.97 106.66 0.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 111.185 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' HB3' ' HB ' ' A' ' 16' ' ' ILE . . . -121.89 131.2 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.736 HG23 ' O ' ' A' ' 12' ' ' VAL . 23.2 mt -111.21 103.21 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.259 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.493 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 8.5 t80 -107.12 139.88 40.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.806 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 61.96 32.06 17.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.9 mmtt 62.24 37.35 14.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.028 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.736 ' O ' HG23 ' A' ' 8' ' ' ILE . 60.3 t -127.49 129.08 70.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.033 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.62 ' O ' HG22 ' A' ' 32' ' ' THR . 38.7 m -74.02 116.85 15.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.903 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -158.13 171.07 35.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.507 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.6 mm -106.67 139.45 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.042 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.008 HD11 HD21 ' A' ' 27' ' ' LEU . 1.1 tt -101.05 144.45 12.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -135.73 114.45 11.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.113 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.498 HG23 HD11 ' A' ' 42' ' ' LEU . 26.5 mt -89.38 134.91 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -101.13 108.38 20.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.821 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -106.83 25.97 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -95.8 -30.07 13.89 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.733 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.923 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.95 147.51 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.637 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.4 t -43.78 -68.75 0.26 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-N 116.62 -0.263 . . . . 0.0 110.952 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.923 ' HD2' HG22 ' A' ' 22' ' ' VAL . 52.1 Cg_endo -68.45 81.05 0.56 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.189 1.926 . . . . 0.0 111.494 179.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.531 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . -42.66 130.39 4.08 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.706 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.465 ' OE1' HG21 ' A' ' 39' ' ' THR . 7.9 tt0 -121.69 147.67 45.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.101 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.008 HD21 HD11 ' A' ' 16' ' ' ILE . 6.8 tt -114.1 120.55 40.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.681 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.8 m -103.52 150.17 24.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 37' ' ' VAL . 48.9 t90 -142.51 119.56 11.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.778 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.96 142.3 48.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 p -59.05 143.92 46.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.62 HG22 ' O ' ' A' ' 13' ' ' SER . 9.4 t -58.63 -43.44 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.979 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -154.08 31.14 0.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -106.36 -134.16 7.64 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -154.26 31.34 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.842 0.353 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -129.68 119.0 22.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.0 p -131.71 123.81 52.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' A' ' 39' ' ' THR . 6.7 t60 -123.7 146.6 48.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.465 HG21 ' OE1' ' A' ' 26' ' ' GLU . 5.9 m -124.37 137.03 54.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.415 ' CG2' HD22 ' A' ' 27' ' ' LEU . 15.6 m -130.62 134.62 61.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.84 ' O ' HG22 ' A' ' 44' ' ' THR . 11.1 p -73.87 135.56 27.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.966 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.983 HD22 HD21 ' A' ' 104' ' ' LEU . 55.7 mt -80.62 -27.46 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.015 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.502 ' H ' HG22 ' A' ' 41' ' ' VAL . 0.8 OUTLIER -56.9 -28.3 61.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.103 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.84 HG22 ' O ' ' A' ' 41' ' ' VAL . 15.3 t -73.7 -28.65 61.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.06 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.857 HD12 ' HB3' ' A' ' 62' ' ' LEU . 43.2 mm -57.51 150.49 3.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.073 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -124.91 -49.06 1.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.016 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 48' ' ' LEU . 2.2 tptt -129.97 140.28 50.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.531 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.873 HD12 HD12 ' A' ' 108' ' ' ILE . 0.5 OUTLIER -108.33 124.62 50.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 39.3 tp60 -123.76 157.37 34.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.982 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.477 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -154.36 167.22 30.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.092 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.416 HG21 ' O ' ' A' ' 57' ' ' LYS . 8.4 p -82.71 154.62 68.26 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -68.29 161.54 44.25 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.517 2.145 . . . . 0.0 112.308 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.22 -28.06 47.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.5 m -66.32 -31.31 72.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 20.0 m -78.08 156.68 29.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 66.9 mt-10 -98.44 28.86 3.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' HD2' ' CH2' ' B' ' 458' ' ' TRP . 13.1 mtmt -130.4 79.16 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -71.7 113.26 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 5.2 mtm -150.11 165.7 32.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' ' 101' ' ' LYS . 0.1 OUTLIER -144.15 134.57 24.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.771 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -125.31 152.16 45.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.81 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.857 ' HB3' HD12 ' A' ' 45' ' ' ILE . 12.3 mt -114.97 142.62 46.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.131 -179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 mm -115.48 99.65 8.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.835 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -61.8 169.15 12.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.542 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mtpt -85.91 -168.97 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.848 0.356 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.6 m -108.66 146.28 14.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.04 105.63 7.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.19 103.7 7.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.7 t -166.72 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 mmtp -60.63 -43.31 97.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.55 ' HA ' HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER 64.56 164.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.921 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.578 ' N ' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -178.04 -170.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -150.2 116.32 5.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.796 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -56.64 -68.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -110.59 -77.6 0.59 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.939 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -177.52 156.66 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 70.85 27.17 72.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.547 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -177.4 105.45 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.352 . . . . 0.0 110.869 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -90.93 51.61 2.0 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 81' ' ' VAL . 7.8 p -76.07 142.22 14.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.578 HG21 ' N ' ' A' ' 72' ' ' ARG . 3.7 t -155.6 -65.46 0.02 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.175 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.453 ' CD ' ' HB ' ' A' ' 81' ' ' VAL . 56.3 Cg_endo -69.05 62.74 1.37 Allowed 'Trans proline' 0 C--N 1.348 0.54 0 C-N-CA 122.345 2.03 . . . . 0.0 112.397 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.92 143.53 26.27 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.81 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -73.37 119.54 6.04 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.5 2.134 . . . . 0.0 112.352 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -74.94 146.32 41.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -151.1 95.02 2.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -108.46 116.54 32.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.46 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.2 ppp? -99.19 135.09 41.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.493 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 94.8 m-85 -119.89 145.43 46.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -94.83 143.77 26.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.955 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -128.02 170.91 12.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -143.04 30.75 1.42 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.962 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.409 ' HB3' HG23 ' A' ' 96' ' ' VAL . 25.8 m-20 -166.78 141.7 4.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.68 -49.7 10.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 m -59.96 -33.05 71.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.409 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.2 t -79.98 -41.07 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.495 ' CG ' HD13 ' A' ' 60' ' ' LEU . 27.0 ttp -61.38 -30.61 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -75.17 -38.69 60.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -61.33 -41.55 97.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.972 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.722 HG22 HD12 ' A' ' 104' ' ' LEU . 32.0 mm -69.0 -53.39 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.552 ' HB2' HD21 ' A' ' 60' ' ' LEU . 2.2 ttmt -57.48 -48.59 78.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.028 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 10.6 ttp -60.19 -44.49 95.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.963 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.0 m -70.17 -27.26 64.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.983 HD21 HD22 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -84.34 -29.97 25.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.941 -179.877 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.6 ' HG3' HD13 ' A' ' 48' ' ' LEU . 9.5 mt-30 -77.32 -29.73 53.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.078 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -70.43 -29.91 66.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.098 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.549 HD13 HD12 ' A' ' 42' ' ' LEU . 19.1 mt -76.42 -32.11 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.131 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.873 HD12 HD12 ' A' ' 48' ' ' LEU . 32.8 mt -82.37 -31.11 9.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 59.5 p -72.58 -30.88 64.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.94 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.45 ' NE ' ' CE1' ' A' ' 111' ' ' TYR . 4.7 ptm180 -68.24 -27.35 66.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.989 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.45 ' CE1' ' NE ' ' A' ' 110' ' ' ARG . 28.5 m-85 -100.02 11.2 39.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.327 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . 0.793 ' HE2' HG22 ' A' ' 108' ' ' ILE . 35.4 mttm -96.7 -31.51 12.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -100.81 -31.59 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -91.91 -55.55 3.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.914 -179.987 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.843 0.354 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.4 tp -99.05 11.55 38.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.29 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -71.92 -30.12 65.01 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.741 0.305 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -58.71 -48.37 81.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . 0.907 ' O ' HG23 ' B' ' 461' ' ' ILE . 16.5 m -63.98 -59.24 4.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.868 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.455 ' HA ' HD13 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -54.57 -23.51 17.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.218 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -90.01 -20.15 23.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.198 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -99.64 -26.36 14.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.311 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.907 HG23 ' O ' ' B' ' 457' ' ' SER . 20.5 pt -54.29 -27.68 17.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 120.814 0.34 . . . . 0.0 111.381 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.57 ' CE1' HD11 ' B' ' 461' ' ' ILE . 84.8 m-85 -89.18 -33.24 17.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -76.75 -33.24 58.12 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.879 HG22 HG23 ' B' ' 465' ' ' THR . 31.3 m -77.86 145.26 36.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . 0.879 HG23 HG22 ' B' ' 464' ' ' THR . 9.5 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_endo . . . . . 0 N--CA 1.489 1.21 0 CA-C-O 120.821 0.259 . . . . 0.0 111.782 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.67 -68.36 0.43 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.0 m80 60.17 40.48 18.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.803 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 12.0 p -171.15 157.67 5.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -166.1 157.77 30.38 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.568 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' O ' ' CD2' ' A' ' 91' ' ' PHE . . . -61.81 116.35 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.838 0.352 . . . . 0.0 111.075 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -139.72 131.18 26.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.007 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.705 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.5 mp -94.41 136.78 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.102 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.458 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 4.5 t80 -127.82 103.28 7.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.432 179.779 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.763 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.3 OUTLIER 65.45 71.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.469 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG3' ' C ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER 42.47 31.67 0.3 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.956 -0.566 . . . . 0.0 111.738 -179.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 10' ' ' GLU . 85.8 t -125.44 122.17 62.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.703 179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.897 ' O ' HG22 ' A' ' 32' ' ' THR . 1.7 m -80.1 119.09 22.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -154.1 169.98 32.63 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.0 mm -106.0 134.93 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.754 0.311 . . . . 0.0 111.043 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.971 HD11 HD21 ' A' ' 27' ' ' LEU . 1.6 tt -100.97 146.88 8.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.994 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.78 120.3 12.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.18 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.536 HD13 HD11 ' A' ' 42' ' ' LEU . 28.8 mt -95.88 134.44 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.046 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -100.59 115.21 29.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -101.88 29.1 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -94.28 -31.46 14.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.809 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.91 HG22 ' HD2' ' A' ' 24' ' ' PRO . 12.1 p -102.57 148.08 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.46 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.7 m -49.83 -65.41 0.86 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.624 -179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.91 ' HD2' HG22 ' A' ' 22' ' ' VAL . 17.9 Cg_endo -59.5 -16.92 38.37 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.543 2.162 . . . . 0.0 112.717 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.668 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 61.98 165.19 0.1 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.766 0.317 . . . . 0.0 111.041 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -151.1 143.42 24.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.071 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.971 HD21 HD11 ' A' ' 16' ' ' ILE . 6.5 tt -117.05 110.08 17.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.628 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.463 HG21 ' NH1' ' A' ' 30' ' ' ARG . 3.8 m -97.79 149.66 22.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.975 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.534 ' O ' HG23 ' A' ' 37' ' ' VAL . 69.8 t90 -136.94 107.95 6.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.802 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.463 ' NH1' HG21 ' A' ' 28' ' ' THR . 4.8 mtp85 -106.48 130.88 54.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.61 147.83 31.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.897 HG22 ' O ' ' A' ' 13' ' ' SER . 10.0 t -83.32 -30.8 27.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -150.47 78.56 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -179.63 -127.26 1.09 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.518 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -166.85 36.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.89 0.376 . . . . 0.0 110.867 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -122.37 125.78 46.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.4 p -140.38 142.69 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.092 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.4 t60 -142.92 146.87 34.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.0 m -127.87 134.85 49.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -137.97 145.96 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.068 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG13 ' O ' ' A' ' 25' ' ' ALA . 14.0 t -78.34 130.52 36.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.053 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.536 HD11 HD13 ' A' ' 18' ' ' ILE . 19.5 mt -79.79 -28.56 40.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.9 t -59.46 -29.37 67.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.875 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 49.8 p -69.75 -23.29 63.36 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.91 HD12 HD23 ' A' ' 62' ' ' LEU . 47.2 mm -56.13 150.35 2.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.427 ' HB2' ' N ' ' A' ' 65' ' ' LYS . 38.6 t0 -119.35 -48.99 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.969 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 10.8 tttt -130.02 158.75 38.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.638 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.763 HD22 ' HG3' ' A' ' 105' ' ' GLN . 1.3 mp -124.57 137.33 54.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.765 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -142.16 156.91 45.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.972 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.642 ' HB2' HD12 ' A' ' 60' ' ' LEU . . . -156.98 151.89 25.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.058 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.6 p -59.8 154.02 49.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.98 160.68 48.77 Favored 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.574 2.182 . . . . 0.0 112.339 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.17 -30.95 72.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.5 m -66.47 -31.42 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.842 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -64.51 138.26 58.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -76.67 -39.0 53.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.61 98.74 11.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.837 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -76.61 126.22 30.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 20.2 mtm -147.76 141.51 25.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD12 ' HB2' ' A' ' 50' ' ' ALA . 0.5 OUTLIER -110.62 124.42 51.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 20.5 ttt180 -126.01 128.33 47.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.973 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.91 HD23 HD12 ' A' ' 45' ' ' ILE . 0.0 OUTLIER -124.73 143.27 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.05 0.452 . . . . 0.0 110.966 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 63' ' ' ILE . 2.3 mp -110.02 140.54 28.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.825 -179.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -86.28 -178.49 49.69 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.635 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.427 ' N ' ' HB2' ' A' ' 46' ' ' ASP . 0.0 OUTLIER -105.54 149.23 26.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.834 0.349 . . . . 0.0 110.897 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 5.6 m -63.95 117.34 4.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -126.48 79.13 1.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.65 78.1 2.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.89 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -144.44 -47.66 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -60.69 -76.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.4 mtpt 58.85 27.54 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.324 0.583 . . . . 0.0 111.15 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.35 -169.28 1.54 Allowed 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -132.05 -155.18 0.67 Allowed 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.057 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.55 -77.18 0.6 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.952 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -163.01 -54.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -171.27 78.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.56 -40.12 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.541 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -176.05 128.58 0.22 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.855 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -77.62 -178.06 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.3 t -128.24 138.83 53.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.112 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.7 t -116.7 136.07 23.1 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.049 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -71.42 62.09 2.77 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.464 2.109 . . . . 0.0 112.317 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 5.8 pttp -133.27 157.59 77.8 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -64.67 96.63 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.57 2.18 . . . . 0.0 112.211 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -72.75 139.91 47.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -117.31 109.04 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.808 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 52.9 m-70 -101.75 127.84 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.449 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 1.8 ptm -120.26 120.2 35.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.458 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 46.1 m-85 -111.51 129.7 55.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.07 158.09 22.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.463 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 49.9 m-85 -149.36 170.92 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -131.9 33.97 3.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.945 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.42 ' HB3' HG23 ' A' ' 96' ' ' VAL . 13.9 t-20 -171.55 143.45 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -82.7 -42.74 17.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 63.6 m -59.94 -32.74 71.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.42 HG23 ' HB3' ' A' ' 93' ' ' ASN . 21.5 t -78.13 -45.16 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.44 ' HG2' ' CG ' ' A' ' 91' ' ' PHE . 1.1 mtm -59.55 -31.32 69.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -69.84 -38.77 76.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.1 t-20 -67.32 -31.11 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.618 HG22 HD13 ' A' ' 104' ' ' LEU . 31.8 mm -76.11 -50.92 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.491 ' HB2' HD11 ' A' ' 60' ' ' LEU . 13.2 ttmt -60.18 -45.14 94.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.976 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.409 ' HB3' ' HE2' ' A' ' 102' ' ' MET . 19.2 ptp -59.76 -31.36 69.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.43 ' CG2' HD12 ' A' ' 18' ' ' ILE . 71.4 m -81.81 -28.54 33.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.042 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.631 ' CB ' HD21 ' A' ' 48' ' ' LEU . 1.6 mp -80.48 -27.67 37.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.084 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.763 ' HG3' HD22 ' A' ' 48' ' ' LEU . 29.0 mt-30 -83.27 -39.65 20.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.072 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -58.74 -41.26 86.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.118 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.447 HD12 HD13 ' A' ' 42' ' ' LEU . 22.5 mt -62.79 -37.58 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.098 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.2 mt -74.45 -52.11 20.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.4 m -58.26 -31.41 67.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -71.85 -31.06 66.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' O ' ' A' ' 23' ' ' SER . 14.0 m-85 -107.32 10.02 29.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.327 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -68.15 -42.31 80.27 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.854 0.359 . . . . 0.0 110.854 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -119.89 -42.85 2.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -68.96 -32.85 72.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.2 t0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.909 179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.6 t0 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.777 0.322 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.2 tp -114.14 11.55 17.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.291 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.57 -28.74 26.38 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.804 0.335 . . . . 0.0 111.022 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -59.13 -50.15 75.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.968 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 45.0 t -72.97 -34.72 66.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.963 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.504 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -73.4 -28.66 62.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.031 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -80.66 -19.66 44.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.377 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . 0.412 ' HD1' ' HG1' ' B' ' 464' ' ' THR . 4.7 m-85 -99.68 -27.85 13.47 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.742 0.306 . . . . 0.0 111.245 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.504 HG22 ' HA ' ' B' ' 458' ' ' TRP . 11.4 tt -70.47 -29.57 39.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.398 -179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 48.4 m-85 -99.49 -57.97 2.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.211 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -60.08 -43.52 95.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.975 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.412 ' HG1' ' HD1' ' B' ' 460' ' ' TYR . 0.2 OUTLIER -98.26 145.2 26.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 12.1 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo . . . . . 0 N--CA 1.488 1.168 0 CA-C-O 120.83 0.263 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.54 144.96 0.53 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.853 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -97.75 39.91 1.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.6 p -175.6 146.14 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.5 166.72 39.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.32 136.76 58.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.801 0.334 . . . . 0.0 111.126 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -158.77 123.29 4.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.658 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -98.2 112.97 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -114.88 136.2 53.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.813 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' O ' HG23 ' A' ' 12' ' ' VAL . 3.6 mt-10 61.71 35.75 16.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.9 mmtp 62.34 31.3 17.4 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.975 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.658 ' O ' HG23 ' A' ' 8' ' ' ILE . 32.3 t -129.7 139.44 51.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -78.66 128.59 33.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.886 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -164.1 166.84 37.82 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.487 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.6 mm -105.55 137.16 36.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 110.975 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.046 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -101.06 151.12 5.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.083 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.77 126.27 17.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.3 mt -97.94 134.71 35.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -116.05 115.29 25.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -100.66 30.58 3.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -82.78 -35.8 26.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.784 HG22 ' HD2' ' A' ' 24' ' ' PRO . 7.4 p -106.64 151.81 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.523 ' CB ' ' HD3' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.96 -58.57 9.06 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.75 -179.245 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.784 ' HD2' HG22 ' A' ' 22' ' ' VAL . 21.5 Cg_exo -65.21 -13.13 38.13 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.343 2.029 . . . . 0.0 112.625 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.607 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 64.8 173.9 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.733 0.301 . . . . 0.0 110.782 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.438 ' HG2' HG21 ' A' ' 39' ' ' THR . 0.2 OUTLIER -157.72 131.98 8.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.907 0.384 . . . . 0.0 111.212 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.046 HD21 HD11 ' A' ' 16' ' ' ILE . 6.9 tt -111.46 111.91 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.403 179.705 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.77 140.15 32.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.116 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.811 ' O ' HG23 ' A' ' 37' ' ' VAL . 58.3 t90 -130.47 107.47 9.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.653 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.34 131.54 54.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.98 143.23 48.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 90.7 m -63.19 -46.22 88.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -149.66 77.98 1.35 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -163.54 -118.3 0.44 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.458 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -174.81 36.81 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -126.28 124.25 39.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.2 p -148.73 137.86 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.401 ' CD2' ' O ' ' A' ' 39' ' ' THR . 31.0 t60 -142.75 150.63 40.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.438 HG21 ' HG2' ' A' ' 26' ' ' GLU . 17.6 m -113.35 146.2 39.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 40' ' ' VAL . 11.1 p -142.15 115.38 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.095 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.815 HG12 ' H ' ' A' ' 43' ' ' SER . 22.2 t -59.72 127.28 18.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.0 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.685 ' HA ' HD13 ' A' ' 45' ' ' ILE . 21.6 mt -80.56 -0.16 36.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.637 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.815 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -77.8 -43.34 30.89 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.741 0.305 . . . . 0.0 111.125 -179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.741 HG23 HD12 ' A' ' 45' ' ' ILE . 1.4 t -55.35 -29.27 58.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.148 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.741 HD12 HG23 ' A' ' 44' ' ' THR . 4.2 mp -72.06 123.17 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.875 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -105.19 -28.31 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 1.2 ttpt -130.02 157.1 43.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.513 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 1.008 HD11 HD12 ' A' ' 108' ' ' ILE . 5.1 mp -118.61 149.04 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.462 ' OE1' HG21 ' B' ' 465' ' ' THR . 13.6 mm-40 -147.29 121.7 9.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.621 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -131.18 161.89 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.133 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.655 HG22 ' HD2' ' A' ' 52' ' ' PRO . 0.2 OUTLIER -98.37 142.4 24.52 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.783 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 51' ' ' THR . 53.8 Cg_endo -69.7 148.91 66.52 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.468 2.112 . . . . 0.0 112.314 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.65 -26.9 64.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.3 -28.75 68.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.934 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.6 157.33 9.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.919 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -60.06 -42.87 95.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.1 ptpp? -126.51 134.29 50.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.2 mpp? -95.94 123.1 39.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 44.0 mtm -150.78 148.72 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.621 ' CD1' ' HB2' ' A' ' 50' ' ' ALA . 55.5 tp -111.22 141.18 45.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.856 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.475 ' O ' HD13 ' A' ' 62' ' ' LEU . 5.3 ttm180 -138.3 142.73 39.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.937 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.649 HD22 ' N ' ' A' ' 62' ' ' LEU . 0.4 OUTLIER -118.96 142.51 47.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.808 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.512 HD12 ' HG2' ' A' ' 86' ' ' ARG . 23.9 mm -109.27 123.78 65.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.221 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -63.95 -174.48 3.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -72.79 171.02 13.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.795 0.331 . . . . 0.0 110.873 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.431 HG12 ' HG3' ' A' ' 84' ' ' PRO . 4.5 m -133.18 135.31 56.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.192 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -177.73 81.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -30.12 68.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.36 52.7 2.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 18.7 mttt -112.8 -58.49 2.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.874 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -159.63 143.27 14.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 14.9 mtm180 -149.52 143.2 25.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.779 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.76 111.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.63 -79.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -179.62 -53.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.915 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -92.44 48.69 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.01 96.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.543 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -176.71 112.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.858 0.361 . . . . 0.0 110.748 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -91.12 123.79 34.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 9.0 p -160.39 144.96 5.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.454 HG13 ' HD2' ' A' ' 82' ' ' PRO . 39.7 t -134.86 137.33 27.05 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.454 ' HD2' HG13 ' A' ' 81' ' ' VAL . 54.2 Cg_endo -68.27 62.53 1.08 Allowed 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.527 2.151 . . . . 0.0 112.413 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 pttm -70.78 155.47 93.33 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.431 ' HG3' HG12 ' A' ' 66' ' ' VAL . 27.6 Cg_endo -62.28 130.33 30.01 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.54 2.16 . . . . 0.0 112.226 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -81.0 111.31 17.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.512 ' HG2' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -98.32 96.57 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -109.71 137.09 48.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.44 ' HB2' ' CE2' ' B' ' 462' ' ' PHE . 3.8 ppp? -123.68 149.98 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -128.76 143.11 50.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.795 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.72 146.18 25.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.968 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -139.19 170.92 15.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 49.8 m-20 -143.7 33.17 1.28 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.537 ' HB3' HG23 ' A' ' 96' ' ' VAL . 4.5 m120 -158.86 113.77 2.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 5.9 ptt85 -61.73 -35.02 76.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.8 t -74.13 -40.9 62.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.537 HG23 ' HB3' ' A' ' 93' ' ' ASN . 23.2 t -74.91 -38.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.08 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 18.8 ttp -60.59 -31.26 70.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -74.63 -31.24 61.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -60.15 -43.36 95.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.599 HG22 HD13 ' A' ' 104' ' ' LEU . 30.5 mm -67.87 -55.07 18.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.03 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.599 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -60.26 -31.47 70.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 30.7 ttm -76.64 -43.89 36.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.401 HG22 HD11 ' A' ' 107' ' ' ILE . 88.9 m -66.07 -42.94 88.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.807 ' HB3' HD21 ' A' ' 48' ' ' LEU . 1.1 mp -58.85 -41.55 87.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.684 ' HG2' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -58.98 -30.38 67.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -35.03 42.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 104' ' ' LEU . 16.8 mt -70.89 -40.77 76.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.086 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.008 HD12 HD11 ' A' ' 48' ' ' LEU . 21.7 mt -74.74 -31.17 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 13.1 t -79.94 -31.05 40.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.8 mtt85 -65.15 -31.11 72.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.556 ' CE2' HG22 ' A' ' 107' ' ' ILE . 4.5 m-85 -95.41 9.08 41.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.403 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -88.09 -73.62 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.853 0.358 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -134.06 11.43 3.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.37 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.5 -75.39 0.5 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.809 0.338 . . . . 0.0 111.094 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 t70 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.889 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.796 0.331 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.4 -31.25 9.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -60.16 -31.27 69.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -59.95 -36.76 77.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 20.2 m -63.47 -31.4 72.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.421 ' HA ' HG22 ' B' ' 461' ' ' ILE . 0.6 OUTLIER -63.9 -29.57 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -80.63 -29.11 36.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . 0.596 ' O ' HG23 ' B' ' 464' ' ' THR . 5.6 m-85 -86.93 -39.27 15.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.028 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.421 HG22 ' HA ' ' B' ' 458' ' ' TRP . 11.5 tt -58.4 -31.12 42.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.157 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' A' ' 88' ' ' MET . 23.2 m-85 -95.74 -43.39 7.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.988 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -60.09 -31.62 70.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.596 HG23 ' O ' ' B' ' 460' ' ' TYR . 34.1 p -71.17 102.07 2.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . 0.462 HG21 ' OE1' ' A' ' 49' ' ' GLN . 8.8 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.57 ' HB3' ' HB1' ' A' ' 17' ' ' ALA . 4.3 Cg_endo . . . . . 0 N--CA 1.488 1.185 0 CA-C-O 120.83 0.262 . . . . 0.0 111.795 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -80.65 -68.2 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.684 ' CG ' HG21 ' A' ' 103' ' ' THR . 97.4 m-70 -75.83 105.07 6.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -139.07 155.86 47.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.96 144.69 9.08 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.646 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.11 99.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.151 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.75 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -115.94 138.0 51.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.011 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.693 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.0 mp -102.22 121.72 53.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.196 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 89' ' ' PHE . 7.4 t80 -124.83 134.64 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.786 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 62.22 33.62 16.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 66.18 30.72 9.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.995 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.693 ' O ' HG23 ' A' ' 8' ' ' ILE . 48.2 t -125.05 132.05 71.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.7 m -81.53 108.07 14.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.97 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.61 172.48 24.91 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.5 mm -107.11 134.95 47.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.769 0.319 . . . . 0.0 111.011 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.03 HD11 HD21 ' A' ' 27' ' ' LEU . 0.6 OUTLIER -101.09 140.52 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.008 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.57 ' HB1' ' HB3' ' A' ' 1' ' ' PRO . . . -132.87 123.27 25.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.11 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.455 HG23 ' CD1' ' A' ' 42' ' ' LEU . 30.6 mt -95.85 135.12 30.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -118.46 121.61 40.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -102.46 27.52 6.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -83.3 -40.13 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.72 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.9 HG22 ' HD2' ' A' ' 24' ' ' PRO . 14.4 p -87.44 146.31 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.822 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.481 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -49.16 -66.28 0.63 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.541 -179.42 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.9 ' HD2' HG22 ' A' ' 22' ' ' VAL . 34.4 Cg_endo -63.98 -8.72 16.78 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.623 2.215 . . . . 0.0 113.036 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.564 ' H ' HG13 ' A' ' 22' ' ' VAL . . . 63.28 164.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.744 0.307 . . . . 0.0 111.009 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -154.96 154.19 32.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.169 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.03 HD21 HD11 ' A' ' 16' ' ' ILE . 6.2 tt -123.13 115.62 22.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.503 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.8 m -97.85 150.68 21.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.088 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.562 ' O ' HG23 ' A' ' 37' ' ' VAL . 83.3 t90 -139.74 109.74 6.43 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.11 132.79 50.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 29.0 p -60.0 142.77 53.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.3 m -72.32 -69.61 0.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -105.89 30.86 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -133.65 -153.57 7.11 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.459 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -141.79 25.5 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.713 0.292 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -102.03 130.03 48.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 29' ' ' TRP . 14.5 p -148.79 141.16 18.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.106 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.22 150.61 36.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.973 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -111.12 141.18 44.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 40' ' ' VAL . 10.4 p -141.89 124.45 14.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.098 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.764 ' O ' HG22 ' A' ' 44' ' ' THR . 6.7 t -62.71 129.29 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.984 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.966 HD22 HD21 ' A' ' 104' ' ' LEU . 40.8 mt -80.62 -0.83 39.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.607 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.71 ' H ' HG12 ' A' ' 41' ' ' VAL . 10.8 p -78.3 -31.0 48.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.799 0.333 . . . . 0.0 110.984 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.764 HG22 ' O ' ' A' ' 41' ' ' VAL . 2.2 t -60.33 -34.4 73.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.572 HD12 ' H ' ' A' ' 45' ' ' ILE . 5.0 mp -65.56 118.12 7.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -102.39 -24.64 13.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.098 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.06 171.39 12.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.911 0.386 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 62' ' ' LEU . 27.3 mt -143.52 112.89 6.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.803 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.725 ' NE2' HG23 ' B' ' 465' ' ' THR . 0.0 OUTLIER -123.88 136.69 54.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.947 -179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.781 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -146.28 167.22 24.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.752 HG22 ' O ' ' B' ' 461' ' ' ILE . 11.7 p -87.1 154.64 54.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.51 ' HD3' HG21 ' B' ' 464' ' ' THR . 36.9 Cg_endo -65.72 153.55 77.67 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.574 2.182 . . . . 0.0 112.263 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.29 -25.17 67.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.263 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 t -66.31 -30.48 70.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.927 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.5 m -76.67 129.08 35.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -59.69 -31.75 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.0 mttm -87.73 79.38 8.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.807 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -83.74 113.38 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.951 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.438 ' HE1' HD13 ' B' ' 461' ' ' ILE . 2.8 mpp? -145.22 150.97 37.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.781 HD23 ' HB2' ' A' ' 50' ' ' ALA . 1.2 mt -110.75 143.66 40.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.44 ' HD2' ' CG ' ' B' ' 462' ' ' PHE . 14.4 ttt180 -128.58 111.88 13.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.072 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -83.08 141.48 31.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.124 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.576 HD12 ' HG2' ' A' ' 86' ' ' ARG . 6.5 mm -113.26 106.17 20.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.983 179.787 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -57.23 -167.34 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.527 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 19.8 mttm -95.44 -179.47 4.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.82 0.343 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -131.24 142.32 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -147.85 112.32 5.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -104.95 35.59 2.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 10.6 p -120.88 34.0 5.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mttm -151.38 -62.47 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.2 mttt 60.18 107.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.79 174.95 8.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.929 ' HB2' HG12 ' A' ' 80' ' ' VAL . 31.8 mmtt 59.93 105.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.215 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.95 -73.28 0.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -124.09 32.09 5.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.844 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -100.91 -36.63 8.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -171.95 -39.38 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.511 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -150.33 -156.17 0.69 Allowed 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 120.982 0.42 . . . . 0.0 109.997 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.503 ' HA ' ' HB3' ' A' ' 73' ' ' LYS . 4.6 mt-10 -140.17 61.67 1.52 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.929 HG12 ' HB2' ' A' ' 73' ' ' LYS . 9.3 p -44.14 159.15 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.627 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 80' ' ' VAL . 21.5 t -121.2 88.08 45.0 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 12.4 Cg_exo -39.85 88.7 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.6 2.867 . . . . 0.0 113.123 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 81' ' ' VAL . 7.8 mmtp -90.18 154.2 46.92 Favored Pre-proline 0 C--N 1.315 -0.919 0 CA-C-N 114.364 -1.289 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.28 122.6 10.99 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.558 2.172 . . . . 0.0 112.29 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -62.3 138.26 58.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.576 ' HG2' HD12 ' A' ' 63' ' ' ILE . 29.1 mtt180 -144.22 104.17 4.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -106.98 147.47 29.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.448 ' HB2' ' CZ ' ' B' ' 462' ' ' PHE . 2.7 ppp? -129.96 150.05 51.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.073 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CD2' ' CD1' ' A' ' 9' ' ' PHE . 3.9 m-85 -133.45 146.14 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.519 ' HB2' HD13 ' A' ' 8' ' ' ILE . 0.9 OUTLIER -82.03 146.57 29.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.75 ' CZ ' ' HB2' ' A' ' 7' ' ' ALA . 10.2 m-85 -152.37 141.55 21.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -111.54 -38.09 5.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.429 ' OD1' HG23 ' A' ' 96' ' ' VAL . 1.8 t-20 -84.53 110.14 18.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -62.77 -41.7 99.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 64.6 m -60.53 -40.82 92.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.429 HG23 ' OD1' ' A' ' 93' ' ' ASN . 21.4 t -77.95 -42.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . 0.57 ' HG2' HD12 ' A' ' 60' ' ' LEU . 3.8 ttp -60.54 -35.56 76.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.925 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.27 -31.32 69.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -68.89 -26.9 65.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.987 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.849 HG22 HD12 ' A' ' 104' ' ' LEU . 31.9 mm -73.23 -51.73 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.791 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.52 ' HB2' HD11 ' A' ' 60' ' ' LEU . 3.1 ttmm -63.99 -47.94 78.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.937 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.89 -32.64 69.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.875 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.684 HG21 ' CG ' ' A' ' 3' ' ' HIS . 92.0 m -84.44 -29.01 26.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.844 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.966 HD21 HD22 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -78.16 -30.14 48.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.822 179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.13 -30.71 66.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.963 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 1.0 OUTLIER -73.53 -28.26 61.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.029 -179.896 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 104' ' ' LEU . 12.9 mt -73.52 -27.3 23.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.17 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 21.2 mt -82.65 -28.15 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.277 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.1 p -78.6 -32.0 47.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.127 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.434 ' CD ' ' CE1' ' A' ' 111' ' ' TYR . 10.8 ptm180 -65.22 -28.32 69.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.066 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.561 ' CE2' HG22 ' A' ' 107' ' ' ILE . 11.1 m-85 -89.76 9.57 26.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.339 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 11.0 mtmm -114.35 -39.03 3.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -93.92 11.36 29.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.38 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -90.81 -53.02 4.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 111.101 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.259 -0.877 . . . . 0.0 110.921 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.7 pp -134.4 11.56 3.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.326 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -89.84 -32.24 16.99 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.846 0.355 . . . . 0.0 110.899 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -59.95 -34.03 72.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.91 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 66.1 m -84.74 -30.59 24.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.593 ' CE3' HD12 ' B' ' 461' ' ' ILE . 0.1 OUTLIER -57.57 -32.22 66.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.52 -33.37 75.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . 0.409 ' HA ' ' HG2' ' B' ' 463' ' ' GLU . 80.0 t80 -79.63 -2.98 45.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.477 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.752 ' O ' HG22 ' A' ' 51' ' ' THR . 50.0 mt -100.07 -28.71 3.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.711 0.291 . . . . 0.0 111.345 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.448 ' CZ ' ' HB2' ' A' ' 88' ' ' MET . 65.8 m-85 -109.72 12.04 24.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.75 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . 0.409 ' HG2' ' HA ' ' B' ' 460' ' ' TYR . 0.0 OUTLIER -100.18 2.2 42.73 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.612 0.244 . . . . 0.0 111.37 179.793 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . 0.51 HG21 ' HD3' ' A' ' 52' ' ' PRO . 8.9 t -74.59 -46.76 36.46 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.831 0.348 . . . . 0.0 110.951 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . 0.725 HG23 ' NE2' ' A' ' 49' ' ' GLN . 3.2 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo . . . . . 0 N--CA 1.488 1.165 0 CA-C-O 120.858 0.274 . . . . 0.0 111.831 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -159.82 -52.4 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -75.47 88.7 2.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.946 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 6.3 p -175.27 155.96 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -171.79 163.05 35.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.476 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.86 132.89 55.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.147 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -153.84 126.13 7.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.065 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.745 HG23 ' O ' ' A' ' 12' ' ' VAL . 3.2 mp -103.5 132.64 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.134 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -132.3 126.2 32.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 59.3 44.22 15.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 60.77 34.47 19.82 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.033 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.745 ' O ' HG23 ' A' ' 8' ' ' ILE . 53.8 t -124.74 130.51 73.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.035 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.6 p -84.39 109.67 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.967 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -145.12 167.49 27.31 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.533 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 22.7 mm -105.59 138.41 30.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.806 0.336 . . . . 0.0 111.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.984 HD11 HD21 ' A' ' 27' ' ' LEU . 0.8 OUTLIER -101.02 145.38 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.97 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 114.73 8.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.151 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.414 HG23 HD11 ' A' ' 42' ' ' LEU . 27.3 mt -89.22 134.24 29.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.071 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.6 t30 -116.89 97.56 6.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -97.48 34.16 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -102.41 -35.22 8.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.665 HG11 ' OE2' ' A' ' 26' ' ' GLU . 2.0 p -55.67 -60.01 2.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.588 ' H ' HG13 ' A' ' 22' ' ' VAL . 1.1 t 166.71 -68.57 0.0 OUTLIER Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.344 179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.488 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 89.2 Cg_endo -76.42 -10.4 18.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.362 2.041 . . . . 0.0 112.1 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.622 ' HB3' HG21 ' A' ' 107' ' ' ILE . . . 66.79 121.43 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.045 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.665 ' OE2' HG11 ' A' ' 22' ' ' VAL . 3.7 mt-10 -121.73 159.62 26.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.113 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.984 HD21 HD11 ' A' ' 16' ' ' ILE . 6.8 tt -114.95 117.64 31.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.682 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.6 m -104.64 143.92 32.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.779 ' O ' HG23 ' A' ' 37' ' ' VAL . 70.2 t90 -134.07 119.73 19.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.751 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.73 136.76 54.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 9.5 t -59.09 152.6 19.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.6 t -59.31 -31.95 69.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.95 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -84.6 -42.25 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 108.25 59.82 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.545 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -135.21 -54.18 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.832 0.348 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.86 118.81 37.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.779 HG23 ' O ' ' A' ' 29' ' ' TRP . 12.4 p -147.25 137.06 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.08 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.411 ' CE1' ' CE3' ' A' ' 29' ' ' TRP . 7.6 p-80 -137.06 150.57 48.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.3 m -117.71 126.59 52.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 p -128.34 139.74 51.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.501 HG22 ' HG2' ' A' ' 26' ' ' GLU . 21.4 t -77.96 136.23 24.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.937 HD22 HD21 ' A' ' 104' ' ' LEU . 57.9 mt -80.51 -28.87 37.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.499 ' H ' HG12 ' A' ' 41' ' ' VAL . 6.7 t -56.55 -29.83 62.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.947 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.1 p -65.63 -30.29 70.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.407 HG22 ' N ' ' A' ' 46' ' ' ASP . 33.0 mm -64.34 154.04 7.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' N ' HG22 ' A' ' 45' ' ' ILE . 18.3 t0 -122.39 -47.52 2.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.987 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -130.08 161.09 31.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.626 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.781 HD13 ' HG2' ' A' ' 105' ' ' GLN . 0.4 OUTLIER -124.3 127.01 47.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -137.04 146.1 44.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.743 ' HB2' ' HG ' ' A' ' 60' ' ' LEU . . . -151.16 167.19 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.156 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.653 HG22 HG12 ' B' ' 461' ' ' ILE . 27.7 p -72.51 153.95 91.72 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 165.49 30.68 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.573 2.182 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.73 -30.64 64.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.2 m -66.33 -31.62 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -66.12 131.32 45.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.22 -56.36 22.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -67.0 118.61 10.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -94.93 113.37 25.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 45.8 mtm -150.31 165.73 32.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.743 ' HG ' ' HB2' ' A' ' 50' ' ' ALA . 5.7 tt -135.4 165.42 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.698 ' N ' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -144.97 129.1 17.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.482 HD23 ' CD2' ' A' ' 48' ' ' LEU . 9.0 mt -106.65 133.03 51.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.879 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.487 HD12 ' CG ' ' A' ' 86' ' ' ARG . 21.8 mm -110.62 137.68 41.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.99 -178.82 34.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.52 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.1 mttm -85.67 -173.12 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.829 0.347 . . . . 0.0 110.924 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 6.3 m -148.12 171.64 2.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -135.3 80.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -85.86 83.24 7.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.41 -42.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -57.6 4.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.26 160.81 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 32.1 mtt180 -142.38 141.92 32.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.9 ptmt -130.91 85.91 2.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -104.07 33.27 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.3 t30 -175.46 120.51 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -62.33 110.18 1.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.05 28.79 5.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.513 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -176.61 117.55 0.12 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.869 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -107.09 135.96 47.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -109.89 138.65 36.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.12 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 83' ' ' LYS . 21.7 t -123.62 137.66 29.0 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -40.22 88.79 0.01 OUTLIER 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 123.458 2.772 . . . . 0.0 113.118 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 81' ' ' VAL . 12.4 mtpp -59.53 147.65 76.53 Favored Pre-proline 0 C--N 1.316 -0.872 0 CA-C-N 114.373 -1.285 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -72.0 159.6 49.79 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.518 2.145 . . . . 0.0 112.345 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -114.37 120.38 40.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.487 ' CG ' HD12 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -124.13 116.6 23.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 86.7 m-70 -105.84 145.8 30.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 10.4 ptm -116.73 149.57 39.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -141.35 149.44 41.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.69 146.64 30.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -141.24 141.81 33.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -106.73 32.32 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.581 ' HB3' HG23 ' A' ' 96' ' ' VAL . 3.4 m120 -170.44 111.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.5 ttp-105 -60.92 -31.63 71.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.6 m -65.79 -34.0 77.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.925 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.581 HG23 ' HB3' ' A' ' 93' ' ' ASN . 28.9 t -78.02 -40.96 26.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.4 ttp -59.92 -31.48 69.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.11 -31.86 64.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.87 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -71.5 -39.6 70.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 26.8 mm -72.95 -54.83 14.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.091 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.6 ttmm -57.77 -46.85 83.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.953 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 7.4 ttp -59.69 -43.96 93.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.6 m -69.56 -37.4 77.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.937 HD21 HD22 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -69.35 -42.11 75.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.781 ' HG2' HD13 ' A' ' 48' ' ' LEU . 9.6 mm-40 -57.09 -29.72 63.73 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.042 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -73.84 -30.63 62.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.622 HG21 ' HB3' ' A' ' 25' ' ' ALA . 23.6 mt -78.91 -32.57 15.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.194 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.671 HD12 HD12 ' A' ' 48' ' ' LEU . 36.8 mt -82.61 -31.18 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.034 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -76.61 -40.19 50.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.42 -30.25 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.78 -11.92 40.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.339 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.85 -30.24 63.85 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.793 0.33 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -102.0 -31.57 10.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.12 71.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.088 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.3 t0 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.854 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.906 0.384 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 5.0 tp 68.14 11.7 8.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.442 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -95.79 -58.54 2.08 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.816 0.341 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.43 -39.41 87.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -32.16 71.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' B' ' 458' ' ' TRP . 0.0 OUTLIER -78.88 -30.96 45.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.87 -35.96 31.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.952 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -71.07 -41.75 70.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.653 HG12 HG22 ' A' ' 51' ' ' THR . 11.4 tt -58.62 -28.72 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.189 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 30.7 m-85 -101.2 -30.92 11.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.975 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -72.94 -67.76 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 30.0 p -94.43 178.49 5.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 77.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo . . . . . 0 N--CA 1.488 1.153 0 CA-C-O 120.785 0.244 . . . . 0.0 111.677 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.25 31.56 4.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 66.8 m80 -103.33 84.52 2.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.8 p -172.09 162.44 5.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -167.1 144.07 8.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.581 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.402 ' O ' ' CE1' ' A' ' 91' ' ' PHE . . . -63.31 104.13 0.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.801 0.334 . . . . 0.0 111.138 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.404 ' HB2' ' CZ ' ' A' ' 91' ' ' PHE . . . -120.85 141.51 50.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.5 mp -107.54 129.01 62.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.133 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.487 ' CD1' ' CE2' ' A' ' 89' ' ' PHE . 3.1 t80 -133.55 130.66 38.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.779 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 64.01 36.47 9.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.45 35.07 9.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.005 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.66 ' O ' HG23 ' A' ' 8' ' ' ILE . 59.9 t -132.57 130.25 59.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.015 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.56 ' O ' HG22 ' A' ' 32' ' ' THR . 11.4 m -82.44 126.71 32.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.749 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -157.37 173.44 34.85 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.615 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 17.2 mm -105.56 132.19 53.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.778 0.323 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.789 HG12 HD23 ' A' ' 27' ' ' LEU . 0.7 OUTLIER -101.05 151.26 5.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.135 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.74 122.36 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.981 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.547 HG23 HD11 ' A' ' 42' ' ' LEU . 15.4 mt -89.17 132.27 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.203 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 38.7 m-20 -109.22 97.42 7.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -102.57 27.96 6.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.912 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -89.61 -29.71 18.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.763 HG23 ' H ' ' A' ' 25' ' ' ALA . 10.5 m -92.02 -178.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.035 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.415 ' O ' ' CZ ' ' A' ' 111' ' ' TYR . 0.0 OUTLIER -71.22 -60.61 2.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.309 -179.786 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.401 ' CD ' ' CB ' ' A' ' 23' ' ' SER . 60.2 Cg_endo -72.72 -32.05 9.83 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.567 2.178 . . . . 0.0 112.694 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.763 ' H ' HG23 ' A' ' 22' ' ' VAL . . . 62.97 143.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.956 -179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.567 ' HG2' HG22 ' A' ' 41' ' ' VAL . 14.8 mt-10 -138.6 163.84 31.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.968 0.413 . . . . 0.0 111.442 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.867 HD13 HD21 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -112.04 120.2 41.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.624 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -97.82 131.56 44.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.938 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.571 ' O ' HG23 ' A' ' 37' ' ' VAL . 78.3 t90 -130.8 109.6 10.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.71 139.52 44.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.993 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.9 m -58.9 142.82 49.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.836 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.56 HG22 ' O ' ' A' ' 13' ' ' SER . 15.1 t -59.48 -46.7 88.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.085 -179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.438 ' N ' HG23 ' A' ' 32' ' ' THR . 3.9 m-20 -123.95 -40.26 2.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.081 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -55.1 -172.24 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.642 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -120.15 29.33 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.786 0.327 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -107.96 148.89 29.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.739 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.571 HG23 ' O ' ' A' ' 29' ' ' TRP . 11.5 p -148.68 145.3 18.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.23 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -126.55 136.84 53.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.006 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.94 111.16 13.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.765 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 p -115.61 135.09 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.191 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.841 ' O ' HG22 ' A' ' 44' ' ' THR . 23.3 t -74.19 135.77 26.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.044 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.942 HD22 HD21 ' A' ' 104' ' ' LEU . 18.1 mt -80.65 -31.19 36.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.058 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.413 ' H ' HG12 ' A' ' 41' ' ' VAL . 34.5 t -57.46 -30.08 64.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.197 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 41' ' ' VAL . 14.9 t -71.81 -24.24 61.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.216 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 108' ' ' ILE . 43.9 mm -56.51 151.03 2.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 120.864 0.364 . . . . 0.0 111.123 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -124.92 -44.88 1.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.118 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.463 ' O ' HD12 ' A' ' 48' ' ' LEU . 16.2 mtmt -130.06 171.35 12.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.189 -179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.692 HD21 ' HB3' ' A' ' 104' ' ' LEU . 1.7 mp -135.81 123.55 22.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.721 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -148.22 159.51 43.89 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.975 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 1.034 ' HB2' HD23 ' A' ' 60' ' ' LEU . . . -156.96 167.29 30.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.199 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.568 HG22 HG12 ' B' ' 461' ' ' ILE . 17.4 p -67.51 154.17 93.62 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_endo -69.2 157.93 59.6 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.562 2.175 . . . . 0.0 112.256 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.35 -30.45 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.39 -31.56 72.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.2 m -64.91 127.98 33.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -60.26 -39.07 85.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 111.39 21.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.2 122.29 33.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.435 ' HE1' ' CZ3' ' B' ' 458' ' ' TRP . 0.5 OUTLIER -142.78 165.75 26.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.034 HD23 ' HB2' ' A' ' 50' ' ' ALA . 8.2 mt -124.38 146.98 48.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.586 ' HD3' HD11 ' A' ' 63' ' ' ILE . 0.1 OUTLIER -135.92 131.26 34.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 2.9 mt -123.92 142.51 51.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.586 HD11 ' HD3' ' A' ' 61' ' ' ARG . 7.8 mm -106.54 140.51 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.083 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.2 161.17 22.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.52 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 9.7 mttt -81.22 -174.54 4.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 82' ' ' PRO . 21.8 t -102.79 150.56 6.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.128 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -121.12 99.95 6.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -82.02 -30.77 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 76.0 p -59.51 -36.18 75.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -69.28 -61.38 1.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 60.98 -168.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -59.34 169.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp 60.94 81.6 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -80.96 -46.58 14.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -156.73 -74.57 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -61.72 -41.37 97.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.92 44.79 1.36 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -98.99 26.08 6.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.279 0.562 . . . . 0.0 111.231 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 46.61 90.18 0.02 OUTLIER 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.294 -0.866 . . . . 0.0 111.294 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.9 p -112.17 146.41 17.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.065 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.4 t -97.42 136.06 21.5 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.452 ' O ' HG13 ' A' ' 66' ' ' VAL . 61.1 Cg_endo -72.53 61.71 3.57 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.507 2.138 . . . . 0.0 112.334 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 37.2 mttt -83.56 154.78 65.75 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.71 143.89 52.53 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.588 2.192 . . . . 0.0 112.305 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -107.78 134.31 50.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.63 129.87 56.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.429 ' CE1' ' HB2' ' A' ' 62' ' ' LEU . 3.3 p80 -124.02 135.79 53.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.44 148.32 47.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.024 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.487 ' CE2' ' CD1' ' A' ' 9' ' ' PHE . 14.0 m-85 -128.03 153.21 47.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.839 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.509 ' HB3' HD13 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -85.21 157.8 20.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.896 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 60' ' ' LEU . 4.9 m-85 -156.23 135.08 11.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -108.96 33.02 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.41 ' HB3' HG23 ' A' ' 96' ' ' VAL . 48.5 m-80 -156.29 133.02 10.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.72 -31.61 28.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 57.3 m -72.7 -43.63 62.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.41 HG23 ' HB3' ' A' ' 93' ' ' ASN . 27.9 t -63.14 -37.99 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 23.7 mtp -60.26 -35.43 75.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -67.34 -31.55 71.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -73.85 -44.64 54.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 33.4 mm -61.69 -56.58 16.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.7 ' HG3' HD21 ' A' ' 60' ' ' LEU . 24.3 mtmt -59.18 -49.21 78.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.963 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 26.7 ttm -58.01 -41.1 82.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 90.8 m -73.09 -28.1 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.942 HD21 HD22 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -80.08 -47.18 15.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.028 -179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.441 ' HB3' HD22 ' A' ' 48' ' ' LEU . 1.3 pp0? -56.1 -28.82 59.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.181 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -76.0 -43.28 45.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.121 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.708 HD13 ' CD1' ' A' ' 42' ' ' LEU . 13.9 mt -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.178 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.611 HD12 HD13 ' A' ' 48' ' ' LEU . 44.4 mt -82.62 -30.12 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 5.7 t -81.34 -30.78 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.992 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 111' ' ' TYR . 4.7 ptm85 -71.94 -35.45 69.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.933 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 110' ' ' ARG . 20.5 m-85 -89.8 -11.95 40.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -59.48 -39.24 83.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.856 0.36 . . . . 0.0 110.871 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -80.02 -39.93 28.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.54 -50.56 58.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.051 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.913 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.834 0.349 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 15.0 tp -176.17 -41.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -95.72 -60.75 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.942 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -74.39 -30.43 61.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 9.7 t -58.69 -42.73 89.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.549 ' O ' HG22 ' B' ' 461' ' ' ILE . 18.9 m95 -90.08 -23.66 21.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.052 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -55.64 -33.05 63.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.089 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -67.76 -56.06 10.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.568 HG12 HG22 ' A' ' 51' ' ' THR . 9.9 tt -58.35 -29.08 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.235 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 61' ' ' ARG . 20.5 m-85 -88.9 -30.51 18.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.066 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -75.65 -31.57 59.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.836 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 12.1 p -84.23 86.58 7.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . 0.547 HG22 ' O ' ' B' ' 465' ' ' THR . 28.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo . . . . . 0 N--CA 1.489 1.225 0 CA-C-O 120.918 0.299 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.92 -68.26 0.85 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.501 ' CG ' HG21 ' A' ' 103' ' ' THR . 2.7 m-70 -71.21 106.34 3.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 92.8 p -156.41 167.57 30.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.61 142.32 3.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.79 130.06 44.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 0.0 111.108 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -139.43 115.43 10.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.729 HG23 ' O ' ' A' ' 12' ' ' VAL . 2.4 mp -100.0 119.52 48.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.086 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -102.95 114.03 27.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.293 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 73.81 -45.93 0.61 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.463 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.2 pttm -179.19 -32.38 0.01 OUTLIER 'General case' 0 C--O 1.231 0.132 0 CA-C-O 120.618 0.246 . . . . 0.0 111.338 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.729 ' O ' HG23 ' A' ' 8' ' ' ILE . 58.0 t -61.46 125.48 17.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.958 0.409 . . . . 0.0 111.181 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 m -88.2 109.42 19.9 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.856 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA2' HG23 ' A' ' 32' ' ' THR . . . -138.37 169.08 24.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.557 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 mm -105.51 131.75 54.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.782 0.325 . . . . 0.0 110.948 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.919 HD11 HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -100.98 142.32 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.004 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -141.69 124.13 15.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.432 HG23 HD11 ' A' ' 42' ' ' LEU . 29.0 mt -89.14 134.12 29.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.085 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -112.71 119.97 39.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -102.11 26.86 7.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.955 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -82.54 -32.57 28.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.728 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.912 HG22 ' HD2' ' A' ' 24' ' ' PRO . 14.0 p -99.63 147.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.865 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.466 ' CB ' ' CD ' ' A' ' 24' ' ' PRO . 1.3 m -49.76 -65.86 0.75 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.682 -179.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.912 ' HD2' HG22 ' A' ' 22' ' ' VAL . 22.0 Cg_endo -60.78 -15.4 37.54 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.872 -179.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.654 ' HB2' ' OH ' ' A' ' 111' ' ' TYR . . . 63.61 157.73 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.778 0.323 . . . . 0.0 110.935 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -149.44 164.22 35.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.218 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.919 HD21 HD11 ' A' ' 16' ' ' ILE . 5.3 tt -121.04 119.2 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.541 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.9 m -97.77 134.17 41.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.99 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.735 ' O ' HG23 ' A' ' 37' ' ' VAL . 40.3 t90 -133.19 109.63 9.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.1 ptt180 -112.98 135.03 54.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.87 140.12 57.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.426 HG23 ' HA2' ' A' ' 14' ' ' GLY . 46.3 p -60.23 -61.96 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -122.45 94.1 4.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 171.82 -120.68 0.84 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.522 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -176.17 37.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.803 0.335 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.76 118.73 29.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.911 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 29' ' ' TRP . 13.1 p -139.6 137.81 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CD2' ' N ' ' A' ' 39' ' ' THR . 15.2 t60 -134.81 150.57 50.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.404 ' N ' ' CD2' ' A' ' 38' ' ' HIS . 1.4 m -118.06 141.18 48.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 40' ' ' VAL . 11.4 p -137.83 122.33 22.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.098 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.799 ' O ' HG22 ' A' ' 44' ' ' THR . 21.7 t -59.67 132.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.135 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.632 HD13 HD13 ' A' ' 107' ' ' ILE . 32.1 mt -80.46 -26.62 38.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.053 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.469 ' H ' HG12 ' A' ' 41' ' ' VAL . 0.3 OUTLIER -57.47 -36.59 71.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.06 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 41' ' ' VAL . 12.8 t -59.25 -29.41 67.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.552 HD12 HD23 ' A' ' 62' ' ' LEU . 37.3 mm -62.42 153.92 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.035 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.415 ' N ' HG22 ' A' ' 45' ' ' ILE . 15.7 t0 -123.13 -52.61 1.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.934 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -130.03 156.87 43.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.569 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.72 HD23 ' HG ' ' A' ' 62' ' ' LEU . 7.5 mt -120.05 142.26 49.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.87 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.64 160.4 43.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.58 ' HB2' ' CD1' ' A' ' 60' ' ' LEU . . . -154.78 167.26 30.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.543 HG22 HG12 ' B' ' 461' ' ' ILE . 16.0 p -69.75 149.39 96.71 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -71.79 165.56 32.18 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.554 2.17 . . . . 0.0 112.288 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.8 -27.49 68.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.15 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -66.38 -29.63 69.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.9 m -59.19 129.99 44.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -63.29 -32.98 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.86 125.36 52.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 2.3 mpp? -81.86 125.94 31.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.561 ' HE1' ' CZ2' ' B' ' 458' ' ' TRP . 44.2 mtm -151.5 165.79 33.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.729 HD21 ' HG2' ' A' ' 101' ' ' LYS . 0.2 OUTLIER -130.79 142.53 50.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.445 ' HD2' ' CD2' ' B' ' 462' ' ' PHE . 22.1 ttt180 -125.35 117.48 23.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.912 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.72 ' HG ' HD23 ' A' ' 48' ' ' LEU . 0.2 OUTLIER -97.57 142.54 29.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.799 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.511 HD12 ' CG ' ' A' ' 86' ' ' ARG . 10.2 mm -117.56 140.54 40.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.64 -163.01 35.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.8 mttt -102.42 167.24 10.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 0.0 110.88 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.572 HG12 ' HD3' ' A' ' 84' ' ' PRO . 31.4 m -85.7 163.29 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.118 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 60.03 107.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -98.08 22.51 9.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.9 m 51.99 28.95 5.67 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 36.5 mtmm -157.04 -44.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.003 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 mttt 64.56 143.77 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 4.3 mmt85 -83.49 147.21 27.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.985 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.4 mttp -154.62 118.59 4.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.45 -50.49 71.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.021 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -177.03 -67.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -165.78 102.56 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 165.1 -29.5 0.21 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.521 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -171.72 111.63 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.808 0.337 . . . . 0.0 110.88 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -77.56 117.81 19.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 21.5 t -68.22 134.78 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.085 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.424 HG23 ' HD2' ' A' ' 82' ' ' PRO . 10.9 p -65.76 136.45 95.86 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.092 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.424 ' HD2' HG23 ' A' ' 81' ' ' VAL . 64.8 Cg_endo -72.88 62.9 3.97 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.48 2.12 . . . . 0.0 112.274 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 23.8 pttt -54.6 157.21 5.4 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.088 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.572 ' HD3' HG12 ' A' ' 66' ' ' VAL . 42.9 Cg_endo -67.71 139.03 46.93 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.586 2.191 . . . . 0.0 112.32 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -60.17 -177.06 0.06 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.511 ' CG ' HD12 ' A' ' 63' ' ' ILE . 3.8 mtt180 -170.22 103.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -116.88 119.42 35.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . 0.47 ' HE2' ' CZ ' ' B' ' 462' ' ' PHE . 3.8 ppp? -117.73 149.99 39.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -131.19 164.3 25.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.8 m -99.72 136.3 39.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PHE . . . . . 0.427 ' CE2' HG13 ' A' ' 100' ' ' ILE . 8.1 m-85 -128.91 137.87 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 83.8 m-20 -107.08 33.67 3.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.846 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.604 ' HB3' HG23 ' A' ' 96' ' ' VAL . 24.1 m-80 -163.15 134.02 4.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -82.67 -31.26 28.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 9.7 t -76.16 -31.77 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.604 HG23 ' HB3' ' A' ' 93' ' ' ASN . 22.0 t -76.24 -49.12 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.3 ptm -60.19 -31.48 70.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -66.08 -31.56 72.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -74.77 -25.06 58.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.827 HG22 HD12 ' A' ' 104' ' ' LEU . 31.6 mm -72.77 -52.0 24.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.863 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.729 ' HG2' HD21 ' A' ' 60' ' ' LEU . 24.6 mtmt -63.59 -48.33 77.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . . . . . . . . . 2.9 ppp? -59.3 -35.61 74.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.501 HG21 ' CG ' ' A' ' 3' ' ' HIS . 86.0 m -84.39 -27.83 27.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.029 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.827 HD12 HG22 ' A' ' 100' ' ' ILE . 12.7 mt -80.07 -30.01 39.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.975 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.623 ' HG2' HD12 ' A' ' 48' ' ' LEU . 54.1 mt-30 -72.79 -30.67 64.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.009 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 107' ' ' ILE . 3.2 pt20 -71.37 -28.46 64.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.806 HD12 ' HA ' ' A' ' 104' ' ' LEU . 13.9 mt -71.04 -58.67 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.161 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.414 HD12 HD11 ' A' ' 48' ' ' LEU . 3.8 mt -59.41 -30.13 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 1.6 m -64.14 -25.67 68.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.655 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 32.2 mtp85 -88.08 -27.28 22.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.166 -179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.685 ' CE2' HG22 ' A' ' 107' ' ' ILE . 7.2 m-30 -89.8 -11.87 40.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.486 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -86.55 -30.32 21.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.838 0.351 . . . . 0.0 110.883 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -102.5 -31.46 10.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.655 ' HB3' ' O ' ' A' ' 110' ' ' ARG . . . -101.63 30.57 4.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.105 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.906 -179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 453' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.876 0.37 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 454' ' ' LEU . . . . . . . . . . . . . 1.7 tt -150.27 -58.5 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 455' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -60.28 -34.6 73.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 456' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -68.1 -36.84 80.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 457' ' ' SER . . . . . . . . . . . . . 35.3 t -83.74 -32.98 25.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 458' ' ' TRP . . . . . 0.561 ' CZ2' ' HE1' ' A' ' 59' ' ' MET . 0.0 OUTLIER -79.38 -28.65 41.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 459' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -77.79 -31.03 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.063 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 460' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.66 -42.46 67.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.022 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 461' ' ' ILE . . . . . 0.546 HG22 ' O ' ' B' ' 458' ' ' TRP . 10.1 tt -58.63 -26.73 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.327 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 462' ' ' PHE . . . . . 0.47 ' CZ ' ' HE2' ' A' ' 88' ' ' MET . 45.8 m-85 -104.44 -29.63 10.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.198 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 463' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -61.89 -42.26 98.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.938 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 464' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.15 176.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 465' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 stop_ save_